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Substance Name: PD 113413
RN: 103733-50-2
InChIKey: VXPDBIKOLFNDKU-YSSFQJQWSA-N

Note

  • A metabolite of quinapril.

Molecular Weight

  • 392.4526
 
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Names and Synonyms

Name of Substance

  • PD 113413

Synonym

  • PD-113413

Systematic Name

  • 2H-Pyrazino(1,2-b)isoquinoline-2-acetic acid, 1,3,4,6,11,11a-hexahydro-3-methyl-1,4-dioxo-alpha-(2-phenylethyl)-, (3S-(2(R*),3alpha,11abeta))-

Registry Numbers

CAS Registry Number

  • 103733-50-2

System Generated Number

  • 0103733502

Structure Descriptors

InChI

1S/C23H24N2O4/c1-15-21(26)24-14-18-10-6-5-9-17(18)13-20(24)22(27)25(15)19(23(28)29)12-11-16-7-3-2-4-8-16/h2-10,15,19-20H,11-14H2,1H3,(H,28,29)/t15-,19-,20-/m0/s1

InChIKey

VXPDBIKOLFNDKU-YSSFQJQWSA-N

Smiles

C[C@H]1C(=O)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](CCc4ccccc4)C(=O)O