Atazanavir Impurity 21

Basic Information

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CAS Number

98737-29-2

Molecular Formula

C15H21NO3

Molecular Weight

263.34 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

Basic Physical Properties

Melting Point

125-127 °C

Water Solubility

Insoluble in water. Soluble in Chloroform, Dichloromethane and Ethyl Acetate.

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2

InChI

InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1

InChIKey

NVPOUMXZERMIJK-QWHCGFSZSA-N

LogP

2.521200000000001

Topological Polar Surface Area

50.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

305

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

(2S,3S)-(-)-3-(t-BOC-amino)-1,2-Epoxy-4-phenylbutane
CS-W002934
98737-29-2
tert-Butyl (1S)-1-[(2S)-oxiran-2-yl]-2-phenylethylcarbamate
(2S,3S)-3-Boc-amino-1,2-epoxy-4-phenylbutane
tert-Butyl ((S)-1-((S)-oxiran-2-yl)-2-phenylethyl)carbamate
(2S,3S)-3-(tert-Butoxycarbonylamino)-1,2-epoxy-4-phenylbutane
(2S,3S)-3-tert-butoxycarbonylamino-1,2-epoxy-4-phenylbutane
SCHEMBL1104909
t-butyl [1(S)-benzyl-2(S),3-epoxypropyl]carbamate
BCP12784
E0893
AC7771
3(S)-(t-butyloxycarbonyl)amino-1,2(S)-epoxy-4-phenylbutane
tert-Butyl (1S)-N-(1-((2S)-2-oxiranyl)-2-phenylethyl)carbamate
tert-Butyl(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethylcarbamate
286019-82-7
(2S,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane, 99%
NVPOUMXZERMIJK-QWHCGFSZSA-N
1,1-dimethylethyl {(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl}carbamate
tert-Butyl [S-(R*,R*)]-(-)-(1-oxiranyl-2-phenylethyl)carbamate
N-[(1S)-1-[(2S)-2-Oxiranyl]-2-phenylethyl]-carbamic Acid 1,1-Dimethylethyl Ester
AM20060765
J-501033
(2S,3S)-3-(Boc-amino)-1,2-epoxy-4-phenylbutane
tert-butyl (1S)-1-[(2S)-oxiranyl]-2-phenylethylcarbamate
tert-Butyl N-[(1S)-1-((2S)-Oxiran-2-yl)-2-phenylethyl]carbamate
tert-Butyl [(S)-1-[(S)-Oxiran-2-yl]-2-phenylethyl]carbamate
TERT-BUTYL (S)-1-((S)-OXIRAN-2-YL)-2-PHENYLETHYLCARBAMATE
(2S,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane
AKOS015894820

MDL Number

MFCD02258997

FAQ

What is Atazanavir Impurity 21 (CAS: 98737-29-2)?

Atazanavir Impurity 21 (CAS: 98737-29-2) is a chemical compound identified as a byproduct or degradation product of Atazanavir, a protease inhibitor used in HIV treatment. It has the molecular formula C22H27N5O3S and is typically characterized by its structural similarity to the parent drug, with specific functional group modifications. This impurity is relevant in pharmaceutical quality control and research for drug development.

What are the main uses of Atazanavir Impurity 21 (CAS: 98737-29-2)?

Atazanavir Impurity 21 (CAS: 98737-29-2) is primarily used in pharmaceutical research to study impurity profiles and degradation pathways of Atazanavir. It also plays a role in drug development processes for quality assurance and in analytical chemistry to ensure the purity of HIV medications. Its applications are limited to these specialized fields, as it is not used as an active ingredient.

Is Atazanavir Impurity 21 (CAS: 98737-29-2) safe?

Atazanavir Impurity 21 (CAS: 98737-29-2) is generally considered less toxic than the active drug Atazanavir but should still be handled with care. Safety protocols include using appropriate personal protective equipment (PPE) and following standard laboratory practices. Its safety classification depends on exposure levels, and it is not typically deemed hazardous under controlled conditions, though regulatory guidelines may apply.

How should Atazanavir Impurity 21 (CAS: 98737-29-2) be stored?

Atazanavir Impurity 21 (CAS: 98737-29-2) should be stored in a cool, dark place at 2-8°C to maintain stability. It requires airtight, moisture-proof containers, preferably made of glass or stainless steel, to prevent degradation. Avoid exposure to light, humidity, and air to ensure long-term preservation and compliance with pharmaceutical storage standards.