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Aristolochic acid C

CAT: 0024-sc-394412Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
4849-90-5

Chemical Information

Aristolochic Acid C

Aristolochic acid C is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10. It has a role as a metabolite, a mutagen, a carcinogenic agent and a nephrotoxin. It is a member of aristolochic acids, a monocarboxylic acid, an aromatic ether, a C-nitro compound, an organic heterotetracyclic compound and a cyclic acetal.

CAS Number4849-90-5
PubChem CID165274
IUPAC Name10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular FormulaC16H9NO7
Molecular Weight327.24
XLogP3.2
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity535
SMILES
C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O
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)
InChIKey
NBFGYDJKTHENDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aristolochic Acid C
CAS: 4849-90-5
CID: 165274
Formula: C16H9NO7
MW: 327.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.24
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass327.03790163
Monoisotopic Mass327.03790163
Topological Polar Surface Area122 Ų
Heavy Atom Count24
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T2801-01Aristolochic acid A
MBS3604010-01Aristolochic Acid
HY-N1465-01Aristolochic acid D
HY-N0510A-01Aristolochic acid A (sodium)
259694-01Aristolochic acid C
259693-01Aristolochic acid B

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