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Substance Name: PD138312 hydrochloride
RN: 153566-55-3
InChIKey: NDRONHOOWHOQRK-FZEOUOTDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-F-N4-O3.6/5Cl-H

Molecular Weight

  • 2090.8339
 
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Names and Synonyms

Results Name

  • PD138312 hydrochloride

Synonyms

  • PD 138312 hydrochloride
  • PD138312 HCl

Systematic Name

  • 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-(1-amino-1-methylethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-4-oxo-, hydrochloride (5:6), (R)-

Registry Numbers

CAS Registry Number

  • 153566-55-3

System Generated Number

  • 0153566553

Molecular Formulas

Molecular Formula

  • C19-H23-F-N4-O3.6/5Cl-H

Molecular Formula Fragments

  • C19-H23-F-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/5C19H23FN4O3.6ClH/c5*1-19(2,21)10-5-6-23(8-10)17-14(20)7-12-15(25)13(18(26)27)9-24(11-3-4-11)16(12)22-17;;;;;;/h5*7,9-11H,3-6,8,21H2,1-2H3,(H,26,27);6*1H/t5*10-;;;;;;/m11111....../s1

InChIKey

NDRONHOOWHOQRK-FZEOUOTDSA-N

Smiles

CC(C)([C@@H]1CCN(C1)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F)N.CC(C)([C@@H]1CCN(C1)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F)N.Cl.Cl.Cl.Cl.Cl.Cl