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

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=C(C=CC(Cl)=C8)N12)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 Sat Dec 16 07:14:13 GMT 2023
Edited
by admin
on Sat Dec 16 07:14:13 GMT 2023
Record UNII
5P7J84859I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
ALPRAZOLAM IMPURITY J [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
138111784
Created by admin on Sat Dec 16 07:14:14 GMT 2023 , Edited by admin on Sat Dec 16 07:14:14 GMT 2023
PRIMARY
FDA UNII
5P7J84859I
Created by admin on Sat Dec 16 07:14:14 GMT 2023 , Edited by admin on Sat Dec 16 07:14:14 GMT 2023
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