CAS Registry Number®
150378-17-9
CAS Name
Indinavir
Molecular Formula
C36H47N5O4
Molecular Mass
613.79
Other Names and Identifiers
InChI
InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
InChIKey
InChIKey=CBVCZFGXHXORBI-PXQQMZJSSA-N
SMILES
N(C([C@H](CC1=CC=CC=C1)C[C@@H](CN2[C@H](C(NC(C)(C)C)=O)CN(CC=3C=CC=NC3)CC2)O)=O)[C@H]4C=5C(C[C@H]4O)=CC=CC5
Canonical SMILES
O=C(NC1C=2C=CC=CC2CC1O)C(CC=3C=CC=CC3)CC(O)CN4CCN(CC=5C=NC=CC5)CC4C(=O)NC(C)(C)C
Other Names for this Substance
- 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]-4-(3-pyridinylmethyl)-1-piperazinyl]-2-(phenylmethyl)-
- D–erythro-Pentonamide, 2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-[2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-2-(phenylmethyl)-, [1(1S,2R),5(S)]-
- 2,3,5-Trideoxy-N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-2-(phenylmethyl)-D–erythro-pentonamide
- Indinavir
- Compound J
- MeSH ID: D019469
Deleted or Replaced CAS Registry Numbers
166746-42-5, 216884-06-9
