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74874-10-5

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74874-10-5 Structure

74874-10-5 Structure
IdentificationMore
[Name]

2-PIPERIDINECARBOXYLIC ACID, 1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]-
[CAS]

74874-10-5
[Synonyms]

2-PIPERIDINECARBOXYLIC ACID, 1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]-
2-PIPERIDINECARBOXYLIC ACID, 1-[5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SUFONYL]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]-
(2R,4R)-1-[Nitroglycerine-nitro-N2-(3-methyl-8-quinolinesulfonyl)-L-arginyl]-4-methyl-2-piperidinecarboxylic acid
[2R-[1(S*),2α,4β]]-1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-
(2R,4R)-1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-Piperidinecarboxylic acid
[2R-[1(S*),2α,4β]]-1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid
[Molecular Formula]

C23H31N7O7S
[MDL Number]

MFCD08458426
[Molecular Weight]

549.6
[MOL File]

74874-10-5.mol
Chemical PropertiesBack Directory
[Melting point ]

>201°C (dec.)
[Boiling point ]

814.8±75.0 °C(Predicted)
[density ]

1.53
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

3.34±0.40(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

XBDLKMBSCAVLDV-FHLIZLRMSA-N
[SMILES]

N1(C(=O)[C@@H](NS(C2=C3C(=CC=C2)C=C(C)C=N3)(=O)=O)CCCNC(=N)N[N+]([O-])=O)CC[C@@H](C)C[C@@H]1C(O)=O
[CAS DataBase Reference]

74874-10-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H315-H319-H228
[Precautionary statements ]

P261-P210-P264-P280-P370+P378-P302+P352+P312
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

N-Nitro-1,2,3,4-tetradehydro Argatroban is an intermediate in the preparation of Argatroban (A769000).
Spectrum DetailBack Directory
[Spectrum Detail]

2-PIPERIDINECARBOXYLIC ACID, 1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]-(74874-10-5)1HNMR
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