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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H8O4.C6H14N4O2
Molecular Weight 354.3584
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPIRIN ARGININE

SMILES

N[C@@H](CCCNC(N)=N)C(O)=O.CC(=O)OC1=C(C=CC=C1)C(O)=O

InChI

InChIKey=FXXXGQLMXDIPQA-VWMHFEHESA-N
InChI=1S/C9H8O4.C6H14N4O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4(5(11)12)2-1-3-10-6(8)9/h2-5H,1H3,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C6H14N4O2
Molecular Weight 174.201
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:54:45 UTC 2023
Edited
by admin
on Sat Dec 16 07:54:45 UTC 2023
Record UNII
4FES8WRA60
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPIRIN ARGININE
Common Name English
ARGININE ACETYLSALICYLATE
Common Name English
Acetylsalicylate arginine [WHO-DD]
Common Name English
L-ARGININE ACETYLSALICYLATE SALT (1:1)
Common Name English
ACETYLSALICYLATE ARGININE
WHO-DD  
Systematic Name English
ASPIRIN ARGININE SALT
Common Name English
L-ARGININE ACETYLSALICYLATE
Common Name English
L-ARGININE, 2-(ACETYLOXY)BENZOATE (1:1)
Systematic Name English
L-ARGININE, MONO(2-(ACETYLOXY)BENZOATE)
Common Name English
BENZOIC ACID, 2-(ACETYLOXY)-, COMPD. WITH L-ARGININE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
4FES8WRA60
Created by admin on Sat Dec 16 07:54:46 UTC 2023 , Edited by admin on Sat Dec 16 07:54:46 UTC 2023
PRIMARY
PUBCHEM
169926
Created by admin on Sat Dec 16 07:54:46 UTC 2023 , Edited by admin on Sat Dec 16 07:54:46 UTC 2023
PRIMARY
CAS
37466-21-0
Created by admin on Sat Dec 16 07:54:46 UTC 2023 , Edited by admin on Sat Dec 16 07:54:46 UTC 2023
PRIMARY
EVMPD
SUB183619
Created by admin on Sat Dec 16 07:54:46 UTC 2023 , Edited by admin on Sat Dec 16 07:54:46 UTC 2023
PRIMARY
SMS_ID
100000169828
Created by admin on Sat Dec 16 07:54:46 UTC 2023 , Edited by admin on Sat Dec 16 07:54:46 UTC 2023
PRIMARY
ECHA (EC/EINECS)
253-514-4
Created by admin on Sat Dec 16 07:54:46 UTC 2023 , Edited by admin on Sat Dec 16 07:54:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID60885678
Created by admin on Sat Dec 16 07:54:46 UTC 2023 , Edited by admin on Sat Dec 16 07:54:46 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY