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Substance Name: MDL 105212A
RN: 167261-60-1
InChIKey: DAYXLOOGUORCMH-WAQYZQTGSA-N

Classification Codes

  • Neurokinin-1 Receptor Antagonists
  • Neurotransmitter Agents

Molecular Formula

  • C34-H39-Cl2-N3-O5.Cl-H

Molecular Weight

  • 677.065
 
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Names and Synonyms

Results Name

  • MDL 105212A

Synonyms

  • (R)-1-(2-(3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl)ethyl)-4-phenylpiperidine-4-carboxamide hydrochloride
  • MDL-105212A

Systematic Name

  • 4-Piperidinecarboxamide, 1-(2-((3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-pyrrolidinyl)ethyl)-4-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 167261-60-1

System Generated Number

  • 0167261601

Structure Descriptors

InChI

1S/C34H39Cl2N3O5.ClH/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24;/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41);1H/t33-;/m0./s1

InChIKey

DAYXLOOGUORCMH-WAQYZQTGSA-N

Smiles

Cl.COc1cc(cc(OC)c1OC)C(=O)N2CC[C@@](CCN3CCC(CC3)(C(=O)N)c4ccccc4)(C2)c5ccc(Cl)c(Cl)c5