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Details

Stereochemistry RACEMIC
Molecular Formula C34H27Cl2N7O2
Molecular Weight 636.53
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5-CHLORO-2-(3-(((6RS)-8-CHLORO-6-HYDROXY-1-METHYL-6-PHENYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-5(6H)-YL)METHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)PHENYL)PHENYLMETHANONE

SMILES

CC1=NN=C(CN2CC3=NN=C(C)N3C4=C(C=C(Cl)C=C4)C2(O)C5=CC=CC=C5)N1C6=C(C=C(Cl)C=C6)C(=O)C7=CC=CC=C7

InChI

InChIKey=BRYBBFDWTJRFDU-UHFFFAOYSA-N
InChI=1S/C34H27Cl2N7O2/c1-21-37-39-31(42(21)29-15-13-25(35)17-27(29)33(44)23-9-5-3-6-10-23)19-41-20-32-40-38-22(2)43(32)30-16-14-26(36)18-28(30)34(41,45)24-11-7-4-8-12-24/h3-18,45H,19-20H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C34H27Cl2N7O2
Molecular Weight 636.53
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:14:13 UTC 2023
Edited
by admin
on Sat Dec 16 07:14:13 UTC 2023
Record UNII
68I61IKM90
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5-CHLORO-2-(3-(((6RS)-8-CHLORO-6-HYDROXY-1-METHYL-6-PHENYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-5(6H)-YL)METHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)PHENYL)PHENYLMETHANONE
Systematic Name English
ALPRAZOLAM IMPURITY I [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
68I61IKM90
Created by admin on Sat Dec 16 07:14:13 UTC 2023 , Edited by admin on Sat Dec 16 07:14:13 UTC 2023
PRIMARY
PUBCHEM
139032879
Created by admin on Sat Dec 16 07:14:13 UTC 2023 , Edited by admin on Sat Dec 16 07:14:13 UTC 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