3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (1:1)

Basic Information

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CAS Number

219909-83-8

Molecular Formula

C12H15ClN2O3S

Molecular Weight

302.78 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

212 ºC

SMILES

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C1C(CNC1C(=O)NC2=CC=CC(=C2)C(=O)O)S.Cl

InChI

InChI=1S/C12H14N2O3S.ClH/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17;/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17);1H/t9-,10-;/m0./s1

InChIKey

DDRIIBZWSJDJQQ-IYPAPVHQSA-N

LogP

1.4053999999999998

Topological Polar Surface Area

78.43 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

337

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

AC-8375
3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid hydrochloride
NS00027017
A815812
3-((2S,4S)-4-Mercaptopyrrolidine-2-carboxamido)benzoicacidhydrochloride
Benzoic acid, 3-((((2S,4S)-4-mercapto-2-pyrrolidinyl)carbonyl)amino)-, hydrochloride (1:1)
Q27285948
219909-83-8
DTXSID90176420
P024OE4203
SCHEMBL15201265
3-((2S,4S)-4-Mercaptopyrrolidine-2-carboxamido)benzoic Acid HCl
3-[(2S,4S)-4-mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
AKOS016008894
3-[[[(2S, 4S)-4-mercapto-1-[(4-nitrobenzyloxy)carbonyl]-2-pyrrolidinyl]carbonyl]amino]-(4-nitrobenzyl)benzoate
3-((2S,4S)-4-Mercaptopyrrolidine-2-carboxamido)benzoic acid hydrochloride
3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid;hydrochloride
UNII-P024OE4203
3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
The Deprotected Sidechain of Ertapenem
(2S)-cis-3-[[(4-Mercapto-2-pyrrolidinyl)carbonyl]amino]benzoic Acid Monohydrochloride
The Side chain of Ertapenem hydrochloride
3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic
3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid,hydrochloride
SIDE CHAIN II FOR ERTAPENEM
ThiaprolineaminobenzoicAcidHcl(TPAB)
(2S)-2-cis-3-[[4-Mercapto-2-pyrrolidinyl)carbonyl]amino]benzoic acid hydrochloride

MDL Number

MFCD10698849

Customs Code

2933990090

FAQ

What is 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8)?

3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8) is a pharmaceutical intermediate and research compound. It contains a benzene ring, a sulfanyl-L-proline moiety, and a carboxylic acid group linked via an amide bond. It is water-soluble and has a pKa value around 3.2.

What are the main uses of 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8)?

The primary uses of 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride include its application as an intermediate in the synthesis of bioactive compounds and in pharmaceutical research. It may also be used in the development of new drugs due to its specific chemical structure.

Is 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8) safe?

3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8) is generally considered safe when used appropriately. However, it should be handled with care due to its acidic nature. Protective measures include using appropriate personal protective equipment (PPE) such as gloves and goggles. Spills should be handled according to standard chemical waste disposal protocols.

How should 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8) be stored?

3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a closed container to prevent moisture absorption. The storage temperature should not exceed 25°C, and the relative humidity should be below 60%.

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3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (1:1) | CAS No. 219909-83-8

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

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 is 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8)?

What are the main uses of 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8)?

Is 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8) safe?

How should 3-{[(4S)-4-Sulfanyl-L-prolyl]amino}benzoic acid hydrochloride (CAS: 219909-83-8) be stored?

Related Compounds

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Supplier Information

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