Estrane steroids

2-Iodoestradiol

Cas Number: 24381-12-2 Compound CID: 68574

Formula: C₁₈H₂₃IO₂ Molecular Weight: 398.3

IUPAC Name: (8R,9S,13S,14S,17S)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)I)O

InChIKey: JZYOQPBSKIOCIK-XSSYPUMDSA-N

InChI: InChI=1S/C18H23IO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1

Synonyms: 2-Iodoestradiol | (8R,9S,13S,14S,17S)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3...

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17-Deoxyestradiol

Cas Number: 53-63-4 Compound CID: 5888

Formula: C₁₈H₂₄O Molecular Weight: 256.399

IUPAC Name: (8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

SMILES: CC12CCCC1C3CCC4=C(C3CC2)C=CC(=C4)O

InChIKey: HJKVPZJVBHWFCQ-BDXSIMOUSA-N

InChI: InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1

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10β,17β-dihydroxyestra-1,4-dien-3-one

Grade & Purity:

≥98%

Cas Number: 549-02-0 Compound CID: 11851170

Formula: C₁₈H₂₄O₃ Molecular Weight: 288.38

IUPAC Name: (8S,9S,10S,13S,14S,17S)-10,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)C=CC34O

InChIKey: UIKDFTLKOKNUJP-UGDFAFBOSA-N

InChI: InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16-,17-,18+/m0/s1

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Estrone-d2-1

Cas Number: 56588-58-0

Formula: C₁₈H₂₀D₂O₂ Molecular Weight: 272.38

IUPAC Name: (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

InChIKey: DNXHEGUUPJUMQT-XIMAIENTSA-N

InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2

Synonyms: Estrone-d2-1 | (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenant...

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ENMD-1198

Cas Number: 864668-87-1 Compound CID: 11483754

Formula: C₂₀H₂₅NO₂ Molecular Weight: 311.42

IUPAC Name: (8S,9S,13R,14S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide

SMILES: CC12CCC3C(C1CC=C2)CCC4=CC(=C(C=C34)OC)C(=O)N

InChIKey: YQJWOUQGXATDAE-ACNBBOPNSA-N

InChI: InChI=1S/C20H25NO2/c1-20-8-3-4-17(20)14-6-5-12-10-16(19(21)22)18(23-2)11-15(12)13(14)7-9-20/h3,8,10-11,13-14,17H,4-7,9H2,1-2H3,(H2,21,22)/t13-,14+,17-show more

Synonyms: (13R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide | ENMD-119 | DB05959 |...

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[³H]17β-estradiol

Grade & Purity:

Moligand™

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

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WIN 51,708

Grade & Purity:

Moligand™

IUPAC Name: (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19show more

SMILES: C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1

InChIKey: AIIXYCDTEGICEE-HZVAOYAWSA-N

InChI: InChI=1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33Hshow more

Synonyms: GTPL339 | NCGC00485262-01 | WIN 51,708 | (3S,4S,7S,8R,11S,12R,15S)-8-Ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[1...

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WIN 62,577

Grade & Purity:

Moligand™

Cas Number: 144177-32-2 Compound CID: 15118529

SMILES: C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2

InChIKey: YBCYJDNOPAFFOW-XOAARHKISA-N

InChI: InChI=1S/C29H31N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,15,17,20-22,show more

Synonyms: Q27089225 | HMS2234A21 | MLS002153154 | (3R,4S,7S,8R,11S,12R)-8-Ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11....

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3-O-Methyl Estradiol

Grade & Purity:

Moligand™

≥98%

Cas Number: 1035-77-4 EC Number: 213-858-8

Formula: C₁₉H₂₆O₂ Molecular Weight: 286.41

IUPAC Name: (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC

InChIKey: ULAADVBNYHGIBP-GFEQUFNTSA-N

InChI: InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1

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Allylestrenol

Grade & Purity:

≥98%

Cas Number: 432-60-0

Formula: C₂₁H₃₂O Molecular Weight: 300.48

IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

SMILES: CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34

InChIKey: ATXHVCQZZJYMCF-XUDSTZEESA-N

InChI: InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1

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Danazol

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 17230-88-5(DMSO) EC Number: MFCD00056838

Formula: C₂₂H₂₇NO₂ Molecular Weight: 337.46

IUPAC Name: (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

InChIKey: POZRVZJJTULAOH-LHZXLZLDSA-N

InChI: InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,2show more

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β-Estradiol-d₂

Grade & Purity:

≥98 atom% D,≥98%

Cas Number: 53866-33-4

Formula: C₁₈H₂₂D₂O₂ Molecular Weight: 274.39

IUPAC Name: (8R,9S,13S,14S,17S)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

InChIKey: VOXZDWNPVJITMN-JXCLBMSPSA-N

InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,10show more

Synonyms: 17beta-Estradiol D2 (2,4-D2); Estra-1,3,5(10)-triene-2,4-d2-3,17-diol, (17?)-; (17?)-Estra-1,3,5(10)-triene-2,4-d2-3,...

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Estrane steroids

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