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Home > Encyclopedia > 2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid

2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid

2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid structure

2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid 

structure
  • CAS No:

    89177-63-9

  • Formula:

    C14H17NO3S

  • Chemical Name:

    2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid

  • Synonyms:

    3-(mercaptomethyl)-3,4,5,6-tetrahydro-2-oxo-1H-1-benzazocine-1-acetic acid;3-(mercaptomethyl)-3,4,5,6-tetrahydro-2-oxo-1H-1-benzazocine-1-acetic acid, dicyclohexylamine salt;3-MMTOB;89177-63-9;CHEMBL354967;3-Mmtob;ACMC-20liod;3-(Mercaptomethyl)-3,4,5,6-tetrahydro-2-oxo-1H-1-benzazocine-1-acetic acid;DTXSID701008690;BDBM50027841;1-Benzazocine-1(2H)-aceticacid, 3,4,5,6-tetrahydro-3-(mercaptomethyl)-2-oxo-;(3-Mercaptomethyl-2-oxo-3,4,5,6-tetrahydro-2H-benzo[b]azocin-1-yl)-acetic acid;[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1(2H)-yl]acetic acid

2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid Basic Attributes

279.36 g/mol

279.09291458 g/mol

Characteristics

58.6 Ų

Drug Information

3-(mercaptomethyl)-3,4,5,6-tetrahydro-2-oxo-1H-1-benzazocine-1-acetic acid

Computed Properties

Molecular Weight:279.36
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:279.09291458
Monoisotopic Mass:279.09291458
Topological Polar Surface Area:58.6
Heavy Atom Count:19
Complexity:348
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid

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