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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29N4O6S
Molecular Weight 489.565
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of OLANZAPINE 4'-N-GLUCURONIDE

SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2N4CC[N+](C)(CC4)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)S1

InChI

InChIKey=TYDOWDWSLBLZGX-KSSXRGRSSA-O
InChI=1S/C23H28N4O6S/c1-12-11-13-20(24-14-5-3-4-6-15(14)25-21(13)34-12)26-7-9-27(2,10-8-26)22-18(30)16(28)17(29)19(33-22)23(31)32/h3-6,11,16-19,22,28-30H,7-10H2,1-2H3,(H-,24,25,31,32)/p+1/t16-,17-,18+,19-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28N4O6S
Molecular Weight 488.557
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:10:36 UTC 2023
Edited
by admin
on Sat Dec 16 10:10:36 UTC 2023
Record UNII
T148R8S95B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OLANZAPINE 4'-N-GLUCURONIDE
Common Name English
PIPERAZINIUM, 1-.BETA.-D-GLUCOPYRANURONOSYL-1-METHYL-4-(2-METHYL-10H-THIENO(2,3-B)(1,5)BENZODIAZEPIN-4-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
T148R8S95B
Created by admin on Sat Dec 16 10:10:36 UTC 2023 , Edited by admin on Sat Dec 16 10:10:36 UTC 2023
PRIMARY
CAS
186792-79-0
Created by admin on Sat Dec 16 10:10:36 UTC 2023 , Edited by admin on Sat Dec 16 10:10:36 UTC 2023
PRIMARY
PUBCHEM
135564982
Created by admin on Sat Dec 16 10:10:36 UTC 2023 , Edited by admin on Sat Dec 16 10:10:36 UTC 2023
PRIMARY
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