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Substance Name: Benzeneacetic acid, 4-chloro-alpha-ethyl-alpha-hydroxy-(2,3,5,7a-tetrahydro-1-hydroxy-(1H)-pyrrolizin-7-yl)methyl ester, N-oxide, (1R-(1-alpha,7(R*),7a-beta))-
RN: 127441-92-3
InChIKey: WJZFYHPQCSJQRO-UWOBQLFRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-Cl-N-O5

Molecular Weight

  • 367.8268
 
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Names and Synonyms

Synonym

  • 9-O-(R(-)-2-(4'-Chlorophenyl)-2-hydroxybutyryl)retronecine N-oxide

Systematic Name

  • Benzeneacetic acid, 4-chloro-alpha-ethyl-alpha-hydroxy-(2,3,5,7a-tetrahydro-1-hydroxy-(1H)-pyrrolizin-7-yl)methyl ester, N-oxide, (1R-(1-alpha,7(R*),7a-beta))-

Registry Numbers

CAS Registry Number

  • 127441-92-3

System Generated Number

  • 0127441923

Structure Descriptors

InChI

1S/C18H22ClNO5/c1-2-18(23,13-3-5-14(19)6-4-13)17(22)25-11-12-7-9-20(24)10-8-15(21)16(12)20/h3-7,15-16,21,23H,2,8-11H2,1H3/t15-,16-,18-,20?/m1/s1

InChIKey

WJZFYHPQCSJQRO-UWOBQLFRSA-N

Smiles

CC[C@@](c1ccc(cc1)Cl)(C(=O)OCC2=CCN3(=O)[C@H]2[C@@H](CC3)O)O