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Inogatran

Inogatran structure

Inogatran 

structure
  • CAS No:

    155415-08-0

  • Formula:

    C21H38N6O4

  • Chemical Name:

    Inogatran

  • Synonyms:

    Glycine,N-[(1R)-2-[(2S)-2-[[[3-[(aminoiminomethyl)amino]propyl]amino]carbonyl]-1-piperidinyl]-1-(cyclohexylmethyl)-2-oxoethyl]-;Glycine,N-[2-[2-[[[3-[(aminoiminomethyl)amino]propyl]amino]carbonyl]-1-piperidinyl]-1-(cyclohexylmethyl)-2-oxoethyl]-,[S-(R*,S*)]-;N-[(1R)-2-[(2S)-2-[[[3-[(Aminoiminomethyl)amino]propyl]amino]carbonyl]-1-piperidinyl]-1-(cyclohexylmethyl)-2-oxoethyl]glycine;Inogatran

Inogatran Basic Attributes

438.56400

438.56

428409I84L

DTXSID50165895

Characteristics

164.13000

2.73010

1.36g/cm3

1.632

Drug Information

Endogenous factors and drugs that directly inhibit the action of THROMBIN, usually by blocking its enzymatic activity. They are distinguished from INDIRECT THROMBIN INHIBITORS, such as HEPARIN, which act by enhancing the inhibitory effects of antithrombins. (See all compounds classified as Antithrombins.)

H 314-27

Computed Properties

Molecular Weight:438.6
XLogP3:-1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:438.29545371
Monoisotopic Mass:438.29545371
Topological Polar Surface Area:163
Heavy Atom Count:31
Complexity:631
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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