Search results for: '1219803-58-3'

: Citalopram-d4hydrobromide
Cas Number: 1219803-58-3

Formula: C₂₀H₁₇D₄FN₂O•HBr

Molecular weight: 409.33

Synonyms: Citalopram D4 HBr | Citalopram-d4 Hydrobromide | Citalopram-d4 (hydrobromide) | 1219803-58-3 | AKOS0...

SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

InChIKey: WIHMBLDNRMIGDW-VBMPRCAQSA-N

InChI: InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H/i5D,6D,7D,8D;

Product No.
Description
Grade & Purity (?)

C651156
Citalopram-d4hydrobromide
| Pricing Close

: Hexanal-d₁₂
Cas Number: 1219803-74-3

Formula: CD₃(CD₂)₄CDO

Molecular weight: 112.23

Synonyms: DTXSID30747890 | 1219803-74-3 | (1,2,2,3,3,4,4,5,5,6,6,6-?H??)hexanal | 1,2,2,3,3,4,4,5,5,6,6,6-dode...

SMILES: CCCCCC=O

InChIKey: JARKCYVAAOWBJS-PSDCQUMKSA-N

InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D

Product No.
Description
Grade & Purity (?)

H465091
Hexanal-d₁₂
- ≥98 atom% D,≥96%
| Pricing Close

: Sandoz 58-035
Cas Number: 78934-83-5

Formula: C₃₀H₄₇NOSi

Molecular weight: 465.79

Synonyms: 3-(Decyldimethylsilyl)-N-(2-(4-methylphenyl)-1-phenylethyl)propanamide | 3-[decyl(dimethyl)silyl]-N-...

SMILES: CCCCCCCCCC[Si](C)(C)CCC(=O)NC(CC1=CC=C(C=C1)C)C2=CC=CC=C2

InChIKey: NBYATBIMYLFITE-UHFFFAOYSA-N

InChI: InChI=1S/C30H47NOSi/c1-5-6-7-8-9-10-11-15-23-33(3,4)24-22-30(32)31-29(28-16-13-12-14-17-28)25-27-20-18-26(2)19-21-27/h12-14,16-21,29H,5-11,15,22-25H2,1-4H3,(H,31,32)

Product No.
Description
Grade & Purity (?)

S337182
Sandoz 58-035
- ≥97%
| Pricing Close

: 1,2,3,4-Butanetetracarboxylic acid
22 Citations

Cas Number: 1703-58-8 EC Number: 216-938-0

Formula: C₈H₁₀O₈

Molecular weight: 234.16

Synonyms: 1,2,3,4-BUTANETETRACARBOXYLIC ACID|1703-58-8|butane-1,2,3,4-tetracarboxylic acid|Butanetetracarboxyl...

SMILES: C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O

InChIKey: GGAUUQHSCNMCAU-UHFFFAOYSA-N

InChI: InChI=1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)

Product No.
Description
Grade & Purity (?)

B299496
1,2,3,4-Butanetetracarboxylic acid
- ≥97%
| Pricing Close

: 5-bromo-3-methyl-isoquinolin-1-amine
Cas Number: 1892727-58-0

Formula: C₁₀H₉N₂Br

Molecular weight: 237.1

Synonyms: 5-bromo-3-methyl-isoquinolin-1-amine | 1892727-58-0 | F89412

SMILES: CC1=CC2=C(C=CC=C2Br)C(=N1)N

InChIKey: PLDOQSMQMWZGRY-UHFFFAOYSA-N

InChI: InChI=1S/C10H9BrN2/c1-6-5-8-7(10(12)13-6)3-2-4-9(8)11/h2-5H,1H3,(H2,12,13)

Product No.
Description
Grade & Purity (?)

B630937
5-bromo-3-methyl-isoquinolin-1-amine
- ≥97%
| Pricing Close

: (3-fluoro-1-methylazetidin-3-yl)methanol
Cas Number: 2167753-58-2

Formula: C₅H₁₀FNO

Molecular weight: 119.14

Synonyms: (3-fluoro-1-methylazetidin-3-yl)methanol | 2167753-58-2 | SCHEMBL16573821 | MFCD31705848 | AB87349 |...

SMILES: CN1CC(C1)(CO)F

InChIKey: WEJYLNBSCVQUMF-UHFFFAOYSA-N

InChI: InChI=1S/C5H10FNO/c1-7-2-5(6,3-7)4-8/h8H,2-4H2,1H3

Product No.
Description
Grade & Purity (?)

M631890
(3-fluoro-1-methylazetidin-3-yl)methanol
- ≥97%
| Pricing Close

: tert-butyl trans-4-(4-aminocyclohexyl)-3-oxo-piperazine-1-carboxylate
Cas Number: 1059623-58-3

Formula: C₁₅H₂₇N₃O₃

Molecular weight: 297.39

Synonyms: F89546 | TERT-BUTYL TRANS-4-(4-AMINOCYCLOHEXYL)-3-OXO-PIPERAZINE-1-CARBOXYLATE | 1059623-58-3

SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2CCC(CC2)N

InChIKey: AGYXKSCHLRECRU-UHFFFAOYSA-N

InChI: InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-8-9-18(13(19)10-17)12-6-4-11(16)5-7-12/h11-12H,4-10,16H2,1-3H3

Product No.
Description
Grade & Purity (?)

T637388
tert-butyl trans-4-(4-aminocyclohexyl)-3-oxo-piperazine-1-carboxylate
- ≥97%
| Pricing Close

: 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
Cas Number: 1331846-58-2

Formula: C₁₅H₂₁NO

Molecular weight: 231.33

Synonyms: 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-ol | 1331846-58-2 | SCHEMBL2302054 | MFCD31637960 | AS-...

SMILES: CC1(C2CCC1CN(C2)CC3=CC=CC=C3)O

InChIKey: IRGRGNINMVLGBC-UHFFFAOYSA-N

InChI: InChI=1S/C15H21NO/c1-15(17)13-7-8-14(15)11-16(10-13)9-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3

Product No.
Description
Grade & Purity (?)

B635554
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
- ≥97%
| Pricing Close

: (2S)-2-(tert-butoxycarbonylamino)-3-(1-methylcyclobutyl)propanoic acid
Cas Number: 1232365-58-0

Formula: C₁₃H₂₃NO₄

Molecular weight: 257.33

Synonyms: SCHEMBL2364175 | AT30010 | (S)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(1-METHYLCYCLOBUTYL)PROPANOIC ACID |...

SMILES: CC1(CCC1)CC(C(=O)O)NC(=O)OC(C)(C)C

InChIKey: ATLGJNSAMLEGKP-VIFPVBQESA-N

InChI: InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9(10(15)16)8-13(4)6-5-7-13/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)/t9-/m0/s1

Product No.
Description
Grade & Purity (?)

P627599
(2S)-2-(tert-butoxycarbonylamino)-3-(1-methylcyclobutyl)propanoic acid
- ≥97%
| Pricing Close

: 3-(chloromethyl)-1,1-difluorocyclobutane
Cas Number: 1290625-58-9

Formula: C₅H₇ClF₂

Molecular weight: 140.56

Synonyms: 3-(Chloromethyl)-1,1-difluorocyclobutane | 1290625-58-9 | C5H7ClF2 | AMY34781 | MFCD19442317 | SB111...

SMILES: C1C(CC1(F)F)CCl

InChIKey: NLYOMNGIMDUMHK-UHFFFAOYSA-N

InChI: InChI=1S/C5H7ClF2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2

Product No.
Description
Grade & Purity (?)

D628128
3-(chloromethyl)-1,1-difluorocyclobutane
- ≥97%
| Pricing Close

: 5-bromo-3-methyl-7H-pyrrolo[2,3-c]pyridazine
Cas Number: 2091250-58-5

Formula: C₇H₆BrN₃

Molecular weight: 212.05

Synonyms: 5-bromo-3-methyl-7H-pyrrolo[2,3-c]pyridazine | 2091250-58-5 | SCHEMBL19244571 | F89217

SMILES: CC1=CC2=C(NC=C2Br)N=N1

InChIKey: RCHDIAXTEAWVMR-UHFFFAOYSA-N

InChI: InChI=1S/C7H6BrN3/c1-4-2-5-6(8)3-9-7(5)11-10-4/h2-3H,1H3,(H,9,11)

Product No.
Description
Grade & Purity (?)

B631543
5-bromo-3-methyl-7H-pyrrolo[2,3-c]pyridazine
- ≥97%
| Pricing Close

: 3-bromo-5-chloro-1,6-naphthyridine
Cas Number: 1211588-58-7

Formula: C₈H₄BrClN₂

Molecular weight: 243.49

Synonyms: 3-BROMO-5-CHLORO-1,6-NAPHTHYRIDINE|1211588-58-7|MFCD18250869|SCHEMBL23363889|DTXSID201296965|PB22921...

SMILES: C1=CN=C(C2=C1N=CC(=C2)Br)Cl

InChIKey: JVIVRUOCTAGPAE-UHFFFAOYSA-N

InChI: InChI=1S/C8H4BrClN2/c9-5-3-6-7(12-4-5)1-2-11-8(6)10/h1-4H

Product No.
Description
Grade & Purity (?)

B172623
3-bromo-5-chloro-1,6-naphthyridine
- ≥97%
| Pricing Close

: 6-bromo-3-chloro-2-methoxy-pyridine
Cas Number: 1256810-58-8

Formula: C₆H₅NOClBr

Molecular weight: 222.47

Synonyms: 6-bromo-3-chloro-2-methoxypyridine | 1256810-58-8 | SCHEMBL2416576 | MFCD18257583 | BS-14763 | FT-07...

SMILES: COC1=C(C=CC(=N1)Br)Cl

InChIKey: CJXSBRMPNXLISI-UHFFFAOYSA-N

InChI: InChI=1S/C6H5BrClNO/c1-10-6-4(8)2-3-5(7)9-6/h2-3H,1H3

Product No.
Description
Grade & Purity (?)

B627835
6-bromo-3-chloro-2-methoxy-pyridine
- ≥97%
| Pricing Close

: 3-Ethoxy-2-fluoro-6-nitroanisole
Cas Number: 1072945-58-4

Formula: C₉H₁₀FNO₄

Molecular weight: 215.2

Synonyms: 1072945-58-4|1-Ethoxy-2-fluoro-3-methoxy-4-nitrobenzene|3-Ethoxy-2-fluoro-6-nitroanisole|DTXSID90674...

SMILES: CCOC1=C(C(=C(C=C1)[N+](=O)[O-])OC)F

InChIKey: YCZOCLPRDIJFAL-UHFFFAOYSA-N

InChI: InChI=1S/C9H10FNO4/c1-3-15-7-5-4-6(11(12)13)9(14-2)8(7)10/h4-5H,3H2,1-2H3

Product No.
Description
Grade & Purity (?)

E179183
3-Ethoxy-2-fluoro-6-nitroanisole
- ≥98%
| Pricing Close

: 1-tert-butoxycarbonyl-3-(cyanomethyl)azetidine-3-carboxylic acid
Cas Number: 1934564-58-5

Formula: C₁₁H₁₆N₂O₄

Molecular weight: 240.26

Synonyms: 1934564-58-5 | 1-(tert-butoxycarbonyl)-3-(cyanomethyl)azetidine-3-carboxylic acid | 1-[(tert-butoxy)...

SMILES: CC(C)(C)OC(=O)N1CC(C1)(CC#N)C(=O)O

InChIKey: JQFRQWUJNNTDPF-UHFFFAOYSA-N

InChI: InChI=1S/C11H16N2O4/c1-10(2,3)17-9(16)13-6-11(7-13,4-5-12)8(14)15/h4,6-7H2,1-3H3,(H,14,15)

Product No.
Description
Grade & Purity (?)

T631169
1-tert-butoxycarbonyl-3-(cyanomethyl)azetidine-3-carboxylic acid
- ≥97%
| Pricing Close

: 5-fluoro-2-methoxy-pyridin-3-ol
Cas Number: 1233025-58-5

Formula: C₆H₆NO₂F

Molecular weight: 143.12

Synonyms: 5-Fluoro-3-hydroxy-2-methoxypyridine | 1233025-58-5 | 5-Fluoro-2-methoxypyridin-3-ol | MFCD16251132 ...

SMILES: COC1=C(C=C(C=N1)F)O

InChIKey: AYPZKWVKQLZIHI-UHFFFAOYSA-N

InChI: InChI=1S/C6H6FNO2/c1-10-6-5(9)2-4(7)3-8-6/h2-3,9H,1H3

Product No.
Description
Grade & Purity (?)

F627604
5-fluoro-2-methoxy-pyridin-3-ol
- ≥97%
| Pricing Close

: 5-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Cas Number: 694521-58-9

Formula: C₁₄H₇Cl₂N₃O₃

Molecular weight: 336.1

Synonyms: 5-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole|694521-58-9|Cambridge id 7325208|DTXSID903...

SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C3=C(C=C(C=C3)Cl)Cl

InChIKey: UKJADNVCKXUUJF-UHFFFAOYSA-N

InChI: InChI=1S/C14H7Cl2N3O3/c15-9-4-5-11(12(16)7-9)14-17-13(18-22-14)8-2-1-3-10(6-8)19(20)21/h1-7H

Product No.
Description
Grade & Purity (?)

D186081
5-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- ≥96%
| Pricing Close

: methyl cis-3-(dibenzylamino)cyclobutanecarboxylate
Cas Number: 2252349-91-8

Formula: C₂₀H₂₃NO₂

Molecular weight: 309.4

Synonyms: methyl 3-(dibenzylamino)cyclobutanecarboxylate | 1683616-58-1 | methyl cis-3-(dibenzylamino)cyclobut...

SMILES: COC(=O)C1CC(C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChIKey: MYIDAJYMGAWLJI-UHFFFAOYSA-N

InChI: InChI=1S/C20H23NO2/c1-23-20(22)18-12-19(13-18)21(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3

Product No.
Description
Grade & Purity (?)

M637974
methyl cis-3-(dibenzylamino)cyclobutanecarboxylate
- ≥97%
| Pricing Close

: 3-Bromo-5-chloro-4-methoxyaniline
Cas Number: 84972-58-7

Formula: C₇H₇BrClNO

Molecular weight: 236.5

Synonyms: 3-BROMO-5-CHLORO-4-METHOXYANILINE|84972-58-7|SCHEMBL10755122|DTXSID70603305|RGXWSRHXXCULNQ-UHFFFAOYS...

SMILES: COC1=C(C=C(C=C1Br)N)Cl

InChIKey: RGXWSRHXXCULNQ-UHFFFAOYSA-N

InChI: InChI=1S/C7H7BrClNO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3

Product No.
Description
Grade & Purity (?)

B186949
3-Bromo-5-chloro-4-methoxyaniline
- ≥97%
| Pricing Close

: 2,7-Dibromo-9-heptyl-9H-carbazole
Cas Number: 1173071-58-3

Formula: C₁₉H₂₁Br₂N

Molecular weight: 423.19

Synonyms: D5403 | 2,7-Dibromo-9-heptyl-9H-carbazole | MFCD30742903 | T70120 | BS-44403 | 1173071-58-3 | 2,7-Di...

SMILES: CCCCCCCN1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br

InChIKey: MLLYLIXYBBORGG-UHFFFAOYSA-N

InChI: InChI=1S/C19H21Br2N/c1-2-3-4-5-6-11-22-18-12-14(20)7-9-16(18)17-10-8-15(21)13-19(17)22/h7-10,12-13H,2-6,11H2,1H3

Product No.
Description
Grade & Purity (?)

D404242
2,7-Dibromo-9-heptyl-9H-carbazole
- ≥98%(GC)
| Pricing Close

: anti-3-methyl-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
Cas Number: 2772970-58-6

Synonyms: F78226 | EN300-27122079 | (1R,5S,8S)-3-methyl-3-azabicyclo[3.2.1]octan-8-amine dihydrochloride | ANT...

SMILES: CN1CC2CCC(C1)C2N.Cl.Cl

InChIKey: WXLNSVWHCSMVCL-VOAUATQSSA-N

InChI: InChI=1S/C8H16N2.2ClH/c1-10-4-6-2-3-7(5-10)8(6)9;;/h6-8H,2-5,9H2,1H3;2*1H/t6-,7+,8?;;

Product No.
Description
Grade & Purity (?)

A638126
anti-3-methyl-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
- ≥97%
| Pricing Close

: 3-Mercaptopropiononitrile
Cas Number: 1001-58-7

Formula: C₃H₅NS

Molecular weight: 87.14

Synonyms: 1001-58-7|Propanenitrile, 3-mercapto-|3-mercaptopropanenitrile|3-sulfanylpropanenitrile|3-Mercaptopr...

SMILES: C(CS)C#N

InChIKey: FCTXEFOUDMXDPD-UHFFFAOYSA-N

InChI: InChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2

Product No.
Description
Grade & Purity (?)

M302020
3-Mercaptopropiononitrile
- ≥95%
| Pricing Close

: 3-(Bromomethyl)benzoic acid
Cas Number: 6515-58-8

Formula: C₈H₇BrO₂

Molecular weight: 215.04

Synonyms: 3-(bromomethyl)benzoic acid|6515-58-8|3-Bromomethyl-benzoic acid|3-Bromomethylbenzoic acid|MFCD00045...

SMILES: C1=CC(=CC(=C1)C(=O)O)CBr

InChIKey: FTPAHNNMUYOHOB-UHFFFAOYSA-N

InChI: InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)

Product No.
Description
Grade & Purity (?)

B139144
3-(Bromomethyl)benzoic acid
- ≥98%
| Pricing Close

: 3-Carboxy-2-chlorophenylboronic acid
Cas Number: 1314264-58-8

Formula: C₇H₆BClO₄

Molecular weight: 200.4

Synonyms: 3-Borono-2-chlorobenzoic acid|1314264-58-8|3-CARBOXY-2-CHLOROPHENYLBORONIC ACID|3-Borono-2-chloroben...

SMILES: B(C1=C(C(=CC=C1)C(=O)O)Cl)(O)O

InChIKey: YYPCOIKUZIKPGL-UHFFFAOYSA-N

InChI: InChI=1S/C7H6BClO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,12-13H,(H,10,11)

Product No.
Description
Grade & Purity (?)

C181118
3-Carboxy-2-chlorophenylboronic acid
- ≥98%
| Pricing Close