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Home > Encyclopedia > 2-PIPERIDINECARBOXYLICACID,1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*),2ALPHA,4BETA]]-

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

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

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

structure
  • CAS No:

    74874-10-5

  • Formula:

    C23H31N7O7S

  • Chemical Name:

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

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White Solid

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

549.600

549.200562

86JF2UKF4B

29163100

Characteristics

218.78000

1.53

1.5±0.1 g/cm3

18 °C

814.8±75.0 °C at 760 mmHg

446.6±37.1 °C

1.686

Safety Information

NONH for all modes of transport

2

R22:Harmful if swallowed.

S25

DG4200000

Xn

2-PIPERIDINECARBOXYLICACID,1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*),2ALPHA,4BETA]]- Use and Manufacturing

N-Nitro-1,2,3,4-tetradehydro Argatroban is an intermediate in the preparation of Argatroban (A769000).

Computed Properties

Molecular Weight:549.6
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:549.20056753
Monoisotopic Mass:549.20056753
Topological Polar Surface Area:221
Heavy Atom Count:38
Complexity:997
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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