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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18N4O2
Molecular Weight 322.3611
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESOCARB, (S)-

SMILES

C[C@@H](CC1=CC=CC=C1)[N+]2=NOC([N-]C(=O)NC3=CC=CC=C3)=C2

InChI

InChIKey=OWFUPROYPKGHMH-AWEZNQCLSA-N
InChI=1S/C18H18N4O2/c1-14(12-15-8-4-2-5-9-15)22-13-17(24-21-22)20-18(23)19-16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H-,19,20,21,23)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19N4O2
Molecular Weight 323.3691
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:31:05 GMT 2023
Edited
by admin
on Sat Dec 16 18:31:05 GMT 2023
Record UNII
3OJ5XI9K2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MESOCARB, (S)-
Common Name English
1,2,3-OXADIAZOLIUM, 3-((1S)-1-METHYL-2-PHENYLETHYL)-5-(((PHENYLAMINO)CARBONYL)AMINO)-, INNER SALT
Systematic Name English
Code System Code Type Description
CAS
78512-16-0
Created by admin on Sat Dec 16 18:31:06 GMT 2023 , Edited by admin on Sat Dec 16 18:31:06 GMT 2023
PRIMARY
FDA UNII
3OJ5XI9K2P
Created by admin on Sat Dec 16 18:31:06 GMT 2023 , Edited by admin on Sat Dec 16 18:31:06 GMT 2023
PRIMARY
PUBCHEM
7460002
Created by admin on Sat Dec 16 18:31:06 GMT 2023 , Edited by admin on Sat Dec 16 18:31:06 GMT 2023
PRIMARY
Related Record Type Details
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