N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine

Basic Information

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CAS Number

195435-23-5

Molecular Formula

C43H43N5O3

Molecular Weight

677.85 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

155-161°C

Refractive Index

1.62

SMILES

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CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(C(C)C)C(=O)O

InChI

InChI=1S/C43H43N5O3/c1-4-5-25-39(49)47(40(31(2)3)42(50)51)30-32-26-28-33(29-27-32)37-23-15-16-24-38(37)41-44-46-48(45-41)43(34-17-9-6-10-18-34,35-19-11-7-12-20-35)36-21-13-8-14-22-36/h6-24,26-29,31,40H,4-5,25,30H2,1-3H3,(H,50,51)/t40-/m0/s1

InChIKey

HQCWKLWGCQAUOU-FAIXQHPJSA-N

LogP

8.475300000000008

Topological Polar Surface Area

101.21000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

1030

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Triphyl valsartan
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl] methyl]amino]butanoic acid;sodium
N-Pentanoyl-N-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-L-valine
D84196
DS-7937
AKOS024462383
L-VALINE, N-(1-OXOPENTYL)-N-[[2'-[2-(TRIPHENYLMETHYL)-2H-TETRAZOL-5-YL][1,1'-BIPHENYL]-4-YL]METHYL]-
195435-23-5
CS-0103215
BCP13064
L-VALINE,N-(1-OXOPENTYL)-N-[[2'-[2-(TRIPHENYLMETHYL)-2H-TETRAZOL-5-YL][1,1'-BIPHENYL]-4-YL]METHYL]-
SCHEMBL2930427
Triphenylvalsartan
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Triphenyl Valsartan
3-Methyl-2-[pentanoyl-[[4-[2-(1-triphyltetrazol-5-yl)phenyl]phenyl]methyl]amino]-butanoic acid
Trityl valsartan
TRIPHENYLMETHYL VALSARTAN
(S)-3-Methyl-2-(N-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)butanoic acid
AK162988
ST24050304
435V235
435T235
L-VALINE,N-(1-OXOPENTYL)-N-[[2'-[2-(TRI

MDL Number

MFCD08460102

Customs Code

2933990090

FAQ

What regulatory guidelines apply to N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5)?

N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5) is subject to various regulatory guidelines, including the GHS classification, REACH regulations, and FDA/EPA requirements. Specific handling, storage, and disposal guidelines must be followed to ensure safety and compliance with these regulations.

Are there alternatives to N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5) in synthesis?

There are no direct alternatives to N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5), but chemists may explore similar compounds such as analogs or isomers for synthesis purposes. Common alternative reagents and substitute solutions include other tetrazoles or modified biphenyl derivatives.

What is the market or research trend for N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5)?

N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5) is primarily used in academic research and specialized industry applications. Market trends indicate increasing interest in its use as a precursor in medicinal chemistry and organic synthesis, with ongoing research exploring its potential in drug discovery and development.

How should waste containing N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5) be handled?

Waste containing N-Pentanoyl-N-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}valine (CAS: 195435-23-5) should be collected in appropriate containers and stored in a designated area. It should then be disposed of through incineration or professional waste disposal services, following all local and international environmental protection regulations to minimize environmental impact.