(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1)

Basic Information

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CAS Number

635728-49-3

Molecular Formula

C29H43N3O8S

Molecular Weight

593.74 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 Amines

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

SMILES

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CCO.CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N

InChI

InChI=1S/C27H37N3O7S.C2H6O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1

InChIKey

QWSHKNICRJHQCY-VBTXLZOXSA-N

LogP

2.3739000000000003

Topological Polar Surface Area

160.65 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

856

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Darunavir Ethanolate
[14C]-Darunavir ethanolate
DARUNAVIR ETHANOLATE (PREZISTA)
Darunavir (Ethanolate)
DARUNAVIR ETHANOLATE(PREZISTA) TMC114
DARUNAVIR THANOLATE
TMC114
TMC-114
UNII-33O78XF0BW
Prezista
33O78XF0BW
Prezista (TN)
Darunavir?Ethanolate
Prezista;TMC114
Darunavir ethanolate (JAN)
Darunavir-Ethanolate(Prezista)
QWSHKNICRJHQCY-VBTXLZOXSA-N
ABP000914
Darunavir Ethanolate(Prezista)/TMC114
BCP9000588
AB2000167
SW21905
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate ,ethanol (1:1)

MDL Number

MFCD18251642

Customs Code

29334900

FAQ

What are the physical and chemical properties of (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3)?

This compound has a crystalline form and a molecular weight of approximately 561.67 g/mol. It is soluble in organic solvents. Its reactivity is moderate, and it is stable under normal laboratory conditions but may react with strong acids or bases. The compound has a low vapor pressure and does not show significant volatility under normal conditions.

How is (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3) typically synthesized?

This compound is synthesized through a multi-step process involving amidation and cyclization reactions. The synthesis typically uses a protected amino group, followed by deprotection and amidation with the desired alcohol. The reaction is catalyzed by a suitable base and carried out in an organic solvent. The yield is around 70-80%, and the selectivity is good, with a high purity product obtained after purification.

What industries use (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3)?

This compound is used in the pharmaceutical industry for developing new drugs. It has potential applications in the field of sensors and semiconductors due to its chemical structure. Additionally, it can be used in the polymer industry for synthesizing new materials with specific properties.

What precautions should be taken when handling (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3)?

Proper personal protective equipment (PPE) should be worn when handling this compound, including gloves, eye protection, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of spill, handle it in a fume hood and follow the standard spill procedures outlined in the safety data sheet (SDS). It is important to always refer to the SDS for specific safety information and emergency procedures.

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(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) | CAS No. 635728-49-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

Customs Code

FAQ

What are the physical and chemical properties of (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3)?

How is (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3) typically synthesized?

What industries use (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3)?

What precautions should be taken when handling (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate - ethanol (1:1) (CAS: 635728-49-3)?

Related Compounds

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