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Substance Name: Exp 631
RN: 151656-58-5
InChIKey: UPIVEKIRCYVMLE-BTJKTKAUSA-N

Note

  • A centrally-acting non-opioid analgesic; exhibits serotonin and norepinephrine reuptake inhibiting activities.

Molecular Formula

  • C13-H21-N-O-S.1/2C4-H4-O4

Molecular Weight

  • 355.453
 
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Names and Synonyms

Name of Substance

  • Exp 631

Synonyms

  • 4-(3-Thienyl)-alpha,alpha,1-trimethyl-4-piperidinemethanol hemifumarate salt
  • Exp-631

Systematic Name

  • 4-Piperidinemethanol, alpha,alpha,1-trimethyl-4-(3-thienyl)-, (Z)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 151656-58-5

System Generated Number

  • 0151656585

Molecular Formulas

Molecular Formula

  • C13-H21-N-O-S.1/2C4-H4-O4

Molecular Formula Fragments

  • C13-H21-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21NOS.C4H4O4/c1-12(2,15)13(11-4-9-16-10-11)5-7-14(3)8-6-13;5-3(6)1-2-4(7)8/h4,9-10,15H,5-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

UPIVEKIRCYVMLE-BTJKTKAUSA-N

Smiles

N1(C)CCC(CC1)(c1cscc1)C(O)(C)C.C(\C=C/C(O)=O)(O)=O