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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20N2O8
Molecular Weight 428.3921
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MYTHYLSULFONYLCARBAMAZEPINE

SMILES

O[C@H]1[C@H](NC(=O)N2C3=C(C=CC=C3)[C@H]4O[C@H]4C5=C2C=CC=C5)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=MSRCBOXNFCXEAO-AFRUPAAZSA-N
InChI=1S/C21H20N2O8/c24-13-14(25)18(20(27)28)31-19(15(13)26)22-21(29)23-11-7-3-1-5-9(11)16-17(30-16)10-6-2-4-8-12(10)23/h1-8,13-19,24-26H,(H,22,29)(H,27,28)/t13-,14-,15+,16-,17+,18-,19+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MYTHYLSULFONYLCARBAMAZEPINE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(((1A,10B-DIHYDRO-6H-DIBENZ(B,F)OXIRENO(D)AZEPIN-6-YL)CARBONYL)AMINO)-
Systematic Name English
1-DEOXY-1-(((1A,10B-DIHYDRO-6H-DIBENZ(B,F)OXIRENO(D)AZEPIN-6-YL)CARBONYL)AMINO)-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
156613877
Created by admin on Sat Dec 16 14:43:40 GMT 2023 , Edited by admin on Sat Dec 16 14:43:40 GMT 2023
PRIMARY
CAS
176546-88-6
Created by admin on Sat Dec 16 14:43:40 GMT 2023 , Edited by admin on Sat Dec 16 14:43:40 GMT 2023
PRIMARY
FDA UNII
8VE3ZG5JUH
Created by admin on Sat Dec 16 14:43:40 GMT 2023 , Edited by admin on Sat Dec 16 14:43:40 GMT 2023
PRIMARY