Argatroban Impurity 13 HCl

Basic Information

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CAS Number

74874-08-1

Molecular Formula

C15H29ClN6O5

Molecular Weight

408.88 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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 Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

174-177°C

SMILES

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CCOC(=O)C1CC(CCN1C(=O)C(CCCN=C(N)N[N+](=O)[O-])N)C.Cl

InChI

InChI=1S/C15H28N6O5.ClH/c1-3-26-14(23)12-9-10(2)6-8-20(12)13(22)11(16)5-4-7-18-15(17)19-21(24)25;/h10-12H,3-9,16H2,1-2H3,(H3,17,18,19);1H/t10-,11+,12-;/m1./s1

InChIKey

KYMBEZAOVMYAGM-QMCLHUHBSA-N

LogP

2.43470

Complexity

535

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

(2R,4R)-Ethyl1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylatehydrochloride
A901473
Ethyl (2R,4R)-1-[2-amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate hydrochloride;(2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride
ethyl (2R,4R)-4-methyl-1-(Nw-nitroarginyl)piperidine-2-carboxylate hydrochloride
ethyl (2r,4r)-1-(2-amino-5-((imino(nitroamino)methyl)amino)-1-oxopentyl)-4-methyl-2-piperidinecarboxylate hcl
Ethyl (2R,4R)-1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carboxylate;hydrochloride
(2R,4R)1-[(2S)2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester Hydrochloride
AMY22167
ETHYL (2R,4R)-1-[2-AMINO-5-[[IMINO(NITROAMINO)METHYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLATE HYDROCHLORIDE
(2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride
AKOS016008022
DS-4237
(2R,4R)1-[(2S)2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxyli
74874-08-1
C15H29ClN6O5
(2R,4R)1-[(2S)2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester ...
1-[2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester Hydrochlori...
2-Piperidinecarboxylic acid, 1-[2-amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, monohydrochloride, [2R-[1(S*),2a,4b]]-
ARGATROBAN INTER-4
Ethyl (2R,4R)-1-(Nitroglycerine-nitro-L-arginyl)-4-methyl-piperidinecarboxylate hydrochloride
Ethyl (2R,4R)-1-[2-amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate hydrochloride
Argatroban Intermediate
RL04844
AX8238739
(2R,4R)-Ethy
Ethyl (2R,4R)-1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carbo

MDL Number

MFCD11982553

FAQ

What are the physical and chemical properties of Argatroban Impurity 13 HCl (CAS: 74874-08-1)?

Argatroban Impurity 13 HCl is a highly crystalline compound with a molecular weight of approximately 628.74 g/mol. It is sparingly soluble in water but soluble in organic solvents like methanol and ethanol. Chemically, it is stable under normal conditions but is sensitive to strong acids and bases. It shows weak basicity due to the presence of the HCl counterion.

How is Argatroban Impurity 13 HCl (CAS: 74874-08-1) typically synthesized?

Argatroban Impurity 13 HCl is synthesized via a multi-step process, involving the preparation of the parent compound Argatroban followed by the introduction of the HCl counterion. The synthesis typically requires the use of a Lewis acid as a catalyst and proceeds with high selectivity and moderate yield. The exact details of the reaction conditions and reagents are proprietary.

What industries use Argatroban Impurity 13 HCl (CAS: 74874-08-1)?

Argatroban Impurity 13 HCl is primarily used in the pharmaceutical industry as a quality control impurity in Argatroban drug products. It is not used in polymer, semiconductor, or sensor industries. Its presence in pharmaceutical formulations is closely monitored to ensure drug safety and efficacy.

What precautions should be taken when handling Argatroban Impurity 13 HCl (CAS: 74874-08-1)?

When handling Argatroban Impurity 13 HCl, appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn. The compound should be handled in a fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and the area should be flushed with water. Safety data sheets (SDS) should be readily accessible for reference.