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Details

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

SHOW SMILES / InChI
Structure of .ALPHA.-HYDROXYTRIAZOLAM GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](OCC2=NN=C3CN=C(C4=CC=CC=C4Cl)C5=CC(Cl)=CC=C5N23)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=RDLSZWLBSGMZJL-KHYDEXNFSA-N
InChI=1S/C23H20Cl2N4O7/c24-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)25)26-8-15-27-28-16(29(14)15)9-35-23-20(32)18(30)19(31)21(36-23)22(33)34/h1-7,18-21,23,30-32H,8-9H2,(H,33,34)/t18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H20Cl2N4O7
Molecular Weight 535.334
Charge 0
Count
Stereochemistry ABSOLUTE
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 13:58:25 GMT 2023
Edited
by admin
on Sat Dec 16 13:58:25 GMT 2023
Record UNII
VEN8FQ74DX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-HYDROXYTRIAZOLAM GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (8-CHLORO-6-(2-CHLOROPHENYL)-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-1-YL)METHYL
Systematic Name English
Code System Code Type Description
PUBCHEM
102373781
Created by admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023
PRIMARY
FDA UNII
VEN8FQ74DX
Created by admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023
PRIMARY
CAS
76936-97-5
Created by admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023
PRIMARY
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