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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42N4O4
Molecular Weight 522.6789
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESNICOTINYL INDINAVIR

SMILES

CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@@H](O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@H](O)CC4=C3C=CC=C4

InChI

InChIKey=MKMGKCALCCOODL-XXEBQWMLSA-N
InChI=1S/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25+,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H42N4O4
Molecular Weight 522.6789
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Thu Jul 06 14:18:15 UTC 2023
Edited
by admin
on Thu Jul 06 14:18:15 UTC 2023
Record UNII
98N2VRY18Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESNICOTINYL INDINAVIR
Common Name English
(S)-1-((2S,4R)-4-BENZYL-2-HYDROXY-5-((1S,2R)-2-HYDROXYINDAN-1-YLAMINO)-5-OXOPENTYL)-N-TERT-BUTYLPIPERAZINE-2-CARBOXAMIDE
Systematic Name English
(+)-DESNICOTINYL INDINAVIR
Common Name English
D-ERYTHRO-PENTONAMIDE, 2,3,5-TRIDEOXY-N-((1S,2R)-2,3-DIHYDRO-2-HYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-
Common Name English
INDINAVIR SULFATE IMPURITY, DESNICOTINYL INDINAVIR- [USP IMPURITY]
Common Name English
(2S)-1-((2S,4R)-4-BENZYL-2-HYDROXY-5-(((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)AMINO)-5-OXOPENTYL)-N-(1,1-DIMETHYLETHYL)PIPERAZINE-2-CARBOXAMIDE
Systematic Name English
INDINAVIR METABOLITE M6
Common Name English
INDINAVIR SULFATE IMPURITY B [EP IMPURITY]
Common Name English
D-ERYTHRO-PENTONAMIDE, 2,3,5-TRIDEOXY-N-(2,3-DIHYDRO-2-HYDROXY-1H-INDEN-1-YL)-5-(2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-, (1(1S,2R),5(S))-
Common Name English
Code System Code Type Description
PUBCHEM
5479517
Created by admin on Thu Jul 06 14:18:16 UTC 2023 , Edited by admin on Thu Jul 06 14:18:16 UTC 2023
PRIMARY
FDA UNII
98N2VRY18Z
Created by admin on Thu Jul 06 14:18:16 UTC 2023 , Edited by admin on Thu Jul 06 14:18:16 UTC 2023
PRIMARY
CAS
150323-38-9
Created by admin on Thu Jul 06 14:18:16 UTC 2023 , Edited by admin on Thu Jul 06 14:18:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP