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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O4.CH4N2O
Molecular Weight 240.2127
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBASPIRIN

SMILES

NC(N)=O.CC(=O)OC1=C(C=CC=C1)C(O)=O

InChI

InChIKey=NZZLTKHBCHMMOJ-UHFFFAOYSA-N
InChI=1S/C9H8O4.CH4N2O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4/h2-5H,1H3,(H,11,12);(H4,2,3,4)

HIDE SMILES / InChI

Molecular Formula C9H8O4
Molecular Weight 180.1574
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH4N2O
Molecular Weight 60.0553
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 18:36:24 UTC 2023
Edited
by admin
on Fri Dec 15 18:36:24 UTC 2023
Record UNII
73J0P7720Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBASPIRIN
Common Name English
Carbasalate [WHO-DD]
Common Name English
BENZOIC ACID, 2-(ACETYLOXY)-, COMPD. WITH UREA (1:1)
Common Name English
CARBASALATE
WHO-DD  
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70200070
Created by admin on Fri Dec 15 18:36:24 UTC 2023 , Edited by admin on Fri Dec 15 18:36:24 UTC 2023
PRIMARY
CAS
52080-78-1
Created by admin on Fri Dec 15 18:36:24 UTC 2023 , Edited by admin on Fri Dec 15 18:36:24 UTC 2023
PRIMARY
EVMPD
SUB01040MIG
Created by admin on Fri Dec 15 18:36:24 UTC 2023 , Edited by admin on Fri Dec 15 18:36:24 UTC 2023
PRIMARY
SMS_ID
100000084869
Created by admin on Fri Dec 15 18:36:24 UTC 2023 , Edited by admin on Fri Dec 15 18:36:24 UTC 2023
PRIMARY
PUBCHEM
162666
Created by admin on Fri Dec 15 18:36:24 UTC 2023 , Edited by admin on Fri Dec 15 18:36:24 UTC 2023
PRIMARY
FDA UNII
73J0P7720Y
Created by admin on Fri Dec 15 18:36:24 UTC 2023 , Edited by admin on Fri Dec 15 18:36:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY