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Substance Name: Brasofensine maleate [USAN]
RN: 173830-14-3
UNII: S35880HLHZ
InChIKey: XVXRAWKEYKMWFS-YGPNHCCBSA-N

Classification Code

  • Antiparkinsonian (Dopamine Reuptake Inhibitor)

Molecular Formula

  • C16-H20-Cl2-N2-O.C4-H4-O4

Molecular Weight

  • 443.3246
 
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Names and Synonyms

Name of Substance

  • Brasofensine maleate [USAN]

Synonyms

  • (1R-(2-endo,3-exo))-3-(3,4-Dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxaldehyde O-methyloxime, (Z)-2-butenedioate (1:1)
  • 3beta-(3,4-Dichlorophenyl)-1alphaH,5alphaH-tropane-2alpha-carboxaldehyde (E)-(O-methyloxime), maleate (1:1)
  • BMS-204756-07
  • Brasofensine maleate
  • NS 2214
  • UNII-S35880HLHZ

Systematic Name

  • (1R-2-endo,3-exo))-3-(3,4-Dichlorophenyl)-8-methyl-8-azabicycle(3.2.1)octane-2-carboxaldehyde O-methyloxime, (Z)-2-butenedioate (1:1).

Registry Numbers

CAS Registry Number

  • 173830-14-3

FDA UNII

  • S35880HLHZ

System Generated Number

  • 0173830143

Molecular Formulas

Molecular Formula

  • C16-H20-Cl2-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H20-Cl2-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20Cl2N2O.C4H4O4/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10;5-3(6)1-2-4(7)8/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b19-9+;2-1-/t11-,12+,13+,16+;/m0./s1

InChIKey

XVXRAWKEYKMWFS-YGPNHCCBSA-N

Smiles

CO\N=C\[C@H]1[C@H]2CC[C@@H](C[C@@H]1c3ccc(Cl)c(Cl)c3)N2C.OC(=O)\C=C/C(=O)O