U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry MIXED
Molecular Formula C34H25Cl2N7O
Molecular Weight 618.515
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,17-DICHLORO-6,13-DIMETHYL-18B,19A-DIPHENYL-8B,19ADIHYDRO-10H,18BH-(1,2,4)TRIAZOLO(4''',3''':1'',2'')QUINOLO(3'',4'':4',5')OXAZOLO(3',2'-D)-1,2,4-TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE

SMILES

CC1=NN=C2CN3C4C5=NN=C(C)N5C6=C(C=C(Cl)C=C6)C4(OC3(C7=CC=CC=C7)C8=CC(Cl)=CC=C8N12)C9=CC=CC=C9

InChI

InChIKey=GVKIMVSIGPKOIB-UHFFFAOYSA-N
InChI=1S/C34H25Cl2N7O/c1-20-37-39-30-19-41-31-32-40-38-21(2)43(32)28-15-13-24(35)17-26(28)33(31,22-9-5-3-6-10-22)44-34(41,23-11-7-4-8-12-23)27-18-25(36)14-16-29(27)42(20)30/h3-18,31H,19H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C34H25Cl2N7O
Molecular Weight 618.515
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:40:52 GMT 2025
Edited
by admin
on Mon Mar 31 21:40:52 GMT 2025
Record UNII
5P7J84859I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPRAZOLAM IMPURITY J [EP IMPURITY]
Preferred Name English
2,17-DICHLORO-6,13-DIMETHYL-18B,19A-DIPHENYL-8B,19ADIHYDRO-10H,18BH-(1,2,4)TRIAZOLO(4''',3''':1'',2'')QUINOLO(3'',4'':4',5')OXAZOLO(3',2'-D)-1,2,4-TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE
Common Name English
Code System Code Type Description
PUBCHEM
138111784
Created by admin on Mon Mar 31 21:40:52 GMT 2025 , Edited by admin on Mon Mar 31 21:40:52 GMT 2025
PRIMARY
FDA UNII
5P7J84859I
Created by admin on Mon Mar 31 21:40:52 GMT 2025 , Edited by admin on Mon Mar 31 21:40:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
total: not more than the area of the principal peak in the chromatogram obtained with reference solution (b) (0.25 per cent)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP