Aristolochic acids and derivatives

Description:

Organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Phenanthrenes and derivatives ⮕ Aristolochic acids and derivatives

Aristolochic acid D
- ≥98%
Cas Number: 17413-38-6 Compound CID: 161218

Formula: C₁₇H₁₁NO₈ Molecular Weight: 357.27

IUPAC Name: 10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

SMILES: COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O

InChIKey: PADIFGYTAXNCRK-UHFFFAOYSA-N

InChI: InChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)
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Aristolochic acid B
- ≥98%(HPLC)
Cas Number: 475-80-9

Formula: C₁₆H₉NO₆ Molecular Weight: 311.25

IUPAC Name: 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

SMILES: C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]

InChIKey: MEEXETVZNQYRSP-UHFFFAOYSA-N

InChI: InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)

Synonyms: CCRIS 6497 | EINECS 207-499-6 | 6-Nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid | DB11394 | AristolochicacidB ...
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Aristolochic acid A
Cas Number: 313-67-7 EC Number: 206-238-3

Formula: C₁₇H₁₁NO₇ Molecular Weight: 341.27

IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)

Synonyms: DTXSID0040969 | KBio2_006772 | NCGC00017334-01 | NCGC00095981-03 | ARISTOLOCHIC ACID [IARC] | C17H11NO7 | KBio2_00163...
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Aristolochic acid A
- 10mM in DMSO
Cas Number: 313-67-7 EC Number: 206-238-3

Formula: C₁₇H₁₁NO₇ Molecular Weight: 341.27

IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)

Synonyms: Aristolochic acid|Aristolochic acid A|313-67-7|Aristolochic acid I|Aristolochin|Tardolyt|Aristolochic acid-I|ARISTOLO...
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Aristolochic acid sodium salt
- ≥96%
Cas Number: 10190-99-5

Formula: C₁₇H₁₀NNaO₇ Molecular Weight: 363.25

IUPAC Name: sodium;8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate

SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+]

InChIKey: BQVOPWJSBBMGBR-UHFFFAOYSA-M

InChI: InChI=1S/C17H11NO7.Na/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1

Synonyms: 8-Methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid sodium salt | CAS-10190-99-5 | CCRIS 6498 | Sodium a...
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Aristolochic acid C
- ≥95%
Cas Number: 4849-90-5

Formula: C₁₆H₉NO₇ Molecular Weight: 327.25

IUPAC Name: 10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

SMILES: C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O

InChIKey: NBFGYDJKTHENDP-UHFFFAOYSA-N

InChI: InChI=1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)

Synonyms: 10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid | DTXSID00197540 | ARISTOLOCHICACIDC | Aristoloch...
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Aristolochic acid A
- ≥98%
Cas Number: 313-67-7 EC Number: 206-238-3

Formula: C₁₇H₁₁NO₇ Molecular Weight: 341.27

IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid

SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)

Synonyms: DTXSID0040969 | KBio2_006772 | NCGC00017334-01 | NCGC00095981-03 | ARISTOLOCHIC ACID [IARC] | C17H11NO7 | KBio2_00163...
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