U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H9NO6
Molecular Weight 311.2458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARISTOLOCHIC ACID II

SMILES

OC(=O)C1=CC2=C(OCO2)C3=C1C(=CC4=CC=CC=C34)[N+]([O-])=O

InChI

InChIKey=MEEXETVZNQYRSP-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C16H9NO6
Molecular Weight 311.2458
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:35:40 GMT 2023
Edited
by admin
on Fri Dec 15 17:35:40 GMT 2023
Record UNII
BB72D5PU2Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARISTOLOCHIC ACID II
Common Name English
ARISTOLOCHIC ACID B
Common Name English
PHENANTHRO(3,4-D)-1,3-DIOXOLE-5-CARBOXYLIC ACID, 6-NITRO-
Common Name English
3,4-(METHYLENEDIOXY)-10-NITROPHENANTHRENE-1-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00197166
Created by admin on Fri Dec 15 17:35:41 GMT 2023 , Edited by admin on Fri Dec 15 17:35:41 GMT 2023
PRIMARY
PUBCHEM
108168
Created by admin on Fri Dec 15 17:35:41 GMT 2023 , Edited by admin on Fri Dec 15 17:35:41 GMT 2023
PRIMARY
FDA UNII
BB72D5PU2Y
Created by admin on Fri Dec 15 17:35:41 GMT 2023 , Edited by admin on Fri Dec 15 17:35:41 GMT 2023
PRIMARY
MESH
C042310
Created by admin on Fri Dec 15 17:35:41 GMT 2023 , Edited by admin on Fri Dec 15 17:35:41 GMT 2023
PRIMARY
CAS
475-80-9
Created by admin on Fri Dec 15 17:35:41 GMT 2023 , Edited by admin on Fri Dec 15 17:35:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-499-6
Created by admin on Fri Dec 15 17:35:41 GMT 2023 , Edited by admin on Fri Dec 15 17:35:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT