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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H46N6O4
Molecular Weight 698.8524
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Atazanavir benzylidenehydrazine carbamate

SMILES

COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC2=CC=C(C=C2)C3=CC=CC=N3)\N=C\C4=CC=C(C=C4)C5=NC=CC=C5)C(C)(C)C

InChI

InChIKey=HOPFNLLKYXJCMM-ZPYIBGJPSA-N
InChI=1S/C42H46N6O4/c1-42(2,3)39(47-41(51)52-4)40(50)46-37(26-30-12-6-5-7-13-30)38(49)29-48(28-32-18-22-34(23-19-32)36-15-9-11-25-44-36)45-27-31-16-20-33(21-17-31)35-14-8-10-24-43-35/h5-25,27,37-39,49H,26,28-29H2,1-4H3,(H,46,50)(H,47,51)/b45-27+/t37-,38-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H46N6O4
Molecular Weight 698.8524
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:39:38 GMT 2025
Edited
by admin
on Wed Apr 02 11:39:38 GMT 2025
Record UNII
M37WBB2FGB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Atazanavir benzylidenehydrazine carbamate
Common Name English
ATAZANAVIR SULFATE IMPURITY I [EP IMPURITY]
Preferred Name English
Atazanavir benzylidenehydrazine carbamate [USP IMPURITY]
Common Name English
Methyl [(S)-1-{[(2S,3S)-3-hydroxy-1-phenyl-4-{1-[4-(pyridin-2-yl)benzyl]-2-[4-(pyridin-2-yl)benzylidene]hydrazinyl}butan-2-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Systematic Name English
Methyl [(2S)-1-[[(2S,3S)-3-hydroxy-1-phenyl-4-[(E)-1-[[4-(pyridin-2-yl)phenyl]methyl]-2-[[4-(pyridin-2-yl)phenyl]methylidene]hydrazin-1-yl]butan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Systematic Name English
Code System Code Type Description
PUBCHEM
156613710
Created by admin on Wed Apr 02 11:39:38 GMT 2025 , Edited by admin on Wed Apr 02 11:39:38 GMT 2025
PRIMARY
FDA UNII
M37WBB2FGB
Created by admin on Wed Apr 02 11:39:38 GMT 2025 , Edited by admin on Wed Apr 02 11:39:38 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP