Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-(3-chloropropionyl)-14-alpha-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, sulfate
RN: 59614-20-9
InChIKey: JJIXZGITEWZWRQ-IUFYMBPJSA-N

Molecular Formula

  • C27-H42-Cl-N-O5.H2-O4-S

Molecular Weight

  • 594.162
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 3-(3-Chloropropionyl)cassaine sulfate

Systematic Name

  • 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-(3-chloropropionyl)-14-alpha-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, sulfate

Registry Numbers

CAS Registry Number

  • 59614-20-9

System Generated Number

  • 0059614209

Molecular Formulas

Molecular Formula

  • C27-H42-Cl-N-O5.H2-O4-S

Molecular Formula Fragments

  • C27-H42-Cl-N-O5
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C27H42ClNO5.H2O4S/c1-17-18(15-24(32)33-14-13-29(5)6)7-8-19-25(17)20(30)16-21-26(2,3)22(9-11-27(19,21)4)34-23(31)10-12-28;1-5(2,3)4/h15,17,19,21-22,25H,7-14,16H2,1-6H3;(H2,1,2,3,4)/b18-15+;/t17?,19?,21?,22-,25?,27+;/m1./s1

InChIKey

JJIXZGITEWZWRQ-IUFYMBPJSA-N

Smiles

C1(=O)C[C@@H]2[C@](C)([C@@H]3[C@@H]1[C@@H](C)\C(CC3)=C\C(=O)OCCN(C)C)CC[C@H](OC(CCCl)=O)C2(C)C.S(O)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 3020ug/kg (3.02mg/kg)   Acta Pharmaceutica Suecica. Vol. 13, Pg. 35, 1976.