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Details

Stereochemistry EPIMERIC
Molecular Formula C23H20Cl2N4O7
Molecular Weight 535.334
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYTRIAZOLAM GLUCURONIDE

SMILES

CC1=NN=C2C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)N=C(C4=CC=CC=C4Cl)C5=CC(Cl)=CC=C5N12

InChI

InChIKey=MOOCXBVDYDHHAJ-QPKYWKAOSA-N
InChI=1S/C23H20Cl2N4O7/c1-9-27-28-20-21(36-23-18(32)16(30)17(31)19(35-23)22(33)34)26-15(11-4-2-3-5-13(11)25)12-8-10(24)6-7-14(12)29(9)20/h2-8,16-19,21,23,30-32H,1H3,(H,33,34)/t16-,17-,18+,19-,21?,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-HYDROXYTRIAZOLAM GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 8-CHLORO-6-(2-CHLOROPHENYL)-1-METHYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-4-YL
Systematic Name English
4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE, .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
V4KRX28CXQ
Created by admin on Sat Dec 16 13:58:25 GMT 2023 , Edited by admin on Sat Dec 16 13:58:25 GMT 2023
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PUBCHEM
92132363
Created by admin on Sat Dec 16 13:58:25 GMT 2023 , Edited by admin on Sat Dec 16 13:58:25 GMT 2023
PRIMARY
CAS
76960-93-5
Created by admin on Sat Dec 16 13:58:25 GMT 2023 , Edited by admin on Sat Dec 16 13:58:25 GMT 2023
PRIMARY