(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid | CAS No. 157810-81-6

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid

Basic Information

CAS Number

157810-81-6

Molecular Formula

C36H49N5O8S

Molecular Weight

711.88 g/mol

AD

Basic Physical Properties

Melting Point

150-153°C (dec)

Boiling Point

877.9°C at 760 mmHg

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O

InChI

InChI=1S/C36H47N5O4.H2O4S/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;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1

InChIKey

NUBQKPWHXMGDLP-BDEHJDMKSA-N

LogP

2.2141000000000024

Topological Polar Surface Area

192.63 Ų

Hydrogen Bond Donor/Acceptor

6 / 13

Complexity

1030

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

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-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acid
  • Indinavir sulfate (USAN:USP)
  • INDINAVIR SULFATE [ORANGE BOOK]
  • INDINAVIR SULFATE [VANDF]
  • 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
  • AC-1935
  • L-735,524
  • Indinavir for system suitability
  • AS-30738
  • (alphaR,gammaS,2S)-alpha-Benzyl-2-(tert-butylcarbamoyl)-gamma-hydroxy-N-[(1S,2R)-2-hydroxy-1-indanyl]-4-(3-pyridylmethyl)-1-piperazinevaleramide sulfate (1:1) (salt)
  • HY-B0689A
  • (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide; sulfuric acid
  • NSC697197
  • Tox21_111687
  • Indinavir, Sulfate (1:1)
  • (.ALPHA.R,.GAMMA.S,2S)-.ALPHA.-BENZYL-2-(TERT-BUTYLCARBAMOYL)-.GAMMA.-HYDROXY-N-((1S,2R)-2-HYDROXY-1-INDANYL)-4-(3-PYRIDYLMETHYL)-1-PIPERAZINEVALERAMIDE SULPHATE (1:1) (SALT)
  • Indinavir sulfate [USAN:USP]
  • DTXSID1044221
  • MFCD00920346
  • NSC 697197
  • HMS2051P19
  • CHEBI:5899
  • 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)-, sulfate (1:1) (salt)
  • D00897
  • CCG-100982
  • 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))-, SULPHATE (1:1) (SALT)
  • INDINAVIR SULPHATE
  • INDINAVIR SULFATE (USP MONOGRAPH)
  • UNII-771H53976Q
  • Indinavir sulfate (USP)
  • MK 639

MDL Number

MFCD00920346

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6)?

Regulatory guidelines for (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6) include hazard classification under GHS, REACH registration, and FDA/EPA regulations for pharmaceutical and chemical substances. It is crucial to adhere to these guidelines for safe handling, storage, and disposal to ensure compliance and safety in the workplace and environment.

Are there alternatives to (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6) in synthesis?

In the synthesis of (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6), alternatives such as other sulfuric acid derivatives or different amine compounds might be considered. However, the choice of alternative should be based on the specific requirements of the synthesis, including reactivity, solubility, and compatibility with other chemicals.

What is the market or research trend for (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6)?

The market and research trends for (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6) indicate increasing interest in its use in pharmaceuticals and research for its potential in treating various diseases. Market trends suggest a growing demand driven by advancements in medicinal chemistry and clinical trials, with ongoing research exploring its therapeutic applications.

How should waste containing (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6) be handled?

Waste containing (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide, sulfuric acid (CAS: 157810-81-6) should be collected and stored separately, ensuring proper labeling and containment to prevent contamination. Appropriate waste disposal methods include incineration or professional chemical waste disposal services. Environmental protection precautions include minimizing spillage, ensuring safe transport, and adhering to local regulations for hazardous waste management.

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