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Substance Name: Btm 1042
RN: 72293-40-4
InChIKey: YRHGKQWXSOSAQX-KJHBKDRRSA-N

Molecular Formula

  • C21-H25-N3-O-S.2Cl-H

Molecular Weight

  • 440.4363
 
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Names and Synonyms

Name of Substance

  • Btm 1042

Synonyms

  • 2,3-Dihydro-3-(4-methyl-piperizinyl)methyl-2-phenyl-1,5-benzothiazepin-4(5H)-one
  • Btm 1018
  • Btm 1041
  • BTM 1086
  • Btm-1042

Systematic Name

  • 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-((4-methyl-1-piperazinyl)methyl)-2-phenyl-, dihydrochloride, cis-(-)-

Registry Numbers

CAS Registry Number

  • 72293-40-4

Related Registry Number

  • 87687-13-6 (mono-hydrochloride)

System Generated Number

  • 0072293404

Molecular Formulas

Molecular Formula

  • C21-H25-N3-O-S.2Cl-H

Molecular Formula Fragments

  • C21-H25-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25N3OS.2ClH/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25;;/h2-10,17,20H,11-15H2,1H3,(H,22,25);2*1H/t17-,20+;;/m1../s1

InChIKey

YRHGKQWXSOSAQX-KJHBKDRRSA-N

Smiles

Cl.Cl.CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c4ccccc4)CC1