(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid ethyl ester

Catalog Number

ACM74874092

Product Name

(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid ethyl ester

Structure

CAS

74874-09-2

Category

Heterocyclic Organic Compound

Synonyms

74874-09-2, Argatroban-5, (2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ETHYL ESTER, AKOS016010207, RL04845, AK112717, N-Nitro-1,2,3,4-tetradehydro Argatroban Ethyl Ester, [2R-[1(S*),2|A,4|A]]-1-[5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester

IUPAC Name

ethyl (2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate

Molecular Weight

577.65

Molecular Formula

C₂₅H₃₅N₇O₇S

Canonical SMILES

CCOC(=O)C1CC(CCN1C(=O)C(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C)C

InChI Key

DWOYDKNIEZWRDH-LSTHTHJFSA-N

Boiling Point

793.393ºC at 760 mmHg

Flash Point

433.629ºC

Density

1.44

Exact Mass

577.23200

Hazard Statements

Xi

H-Bond Acceptor

10

H-Bond Donor

3

Safety Description

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .

MSDS

COA

Spec Sheet