N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N~2~-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamide

Basic Information

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CAS Number

155213-67-5

Molecular Formula

C37H48N6O5S2

Molecular Weight

720.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

126-132°C

Boiling Point

947°C at 760 mmHg

Density

1.239

Flash Point

2℃

Solubility

DMSO: soluble10mg/mL (clear solution, warmed)

Refractive Index

1.599

Vapor Pressure

1.1X10-27 mm Hg @ 25 °C /Estimated/

Specific Rotation

+7 ~ +10°(c=2, MeOH)

SMILES

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CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

InChI

InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1

InChIKey

NCDNCNXCDXHOMX-XGKFQTDJSA-N

LogP

5.905200000000007

Topological Polar Surface Area

145.78 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

1040

Safety Information

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Hazard Statement

Synonyms & References

English

155213-67-5
Ritonavir, >=98% (HPLC)
(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3hydroxyhexane
AB00639991-06
A-84538
RITONAVIR [HSDB]
RITONAVIR [WHO-IP]
Ritonavir [USAN:USP:INN:BAN]
Tox21_113431
MFCD00927142
CHEBI:45409
thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
SMR000466395
BDBM520
NSC 693184
BDBM50088504
Norvir
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
TMC 114r
Norvir Softgel
NCGC00183130-01
RITONAVIR [EMA EPAR]
Norvir (TN)
N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-
RITONAVIR [USP MONOGRAPH]
A 84538
(2S,3S,5S)-5-(N-(N((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
RITONAVIR [MI]
AB00639991_09
RITONAVIR COMPONENT OF KALETRA