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Substance Name: 17,18-Secoyohimban-16-carboxylic acid, 18,19-didehydro-17-hydroxy-, methyl ester, sulfate
RN: 66634-25-1
InChIKey: RBKXSWUIOGMPGQ-LRHULBNDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O3.H2-O4-S

Molecular Weight

  • 806.9726
 
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Names and Synonyms

Synonym

  • Sitsirikine sulfate

Systematic Name

  • 17,18-Secoyohimban-16-carboxylic acid, 18,19-didehydro-17-hydroxy-, methyl ester, sulfate

Registry Numbers

CAS Registry Number

  • 66634-25-1

System Generated Number

  • 0066634251

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O3.H2-O4-S

Molecular Formula Fragments

  • C21-H26-N2-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C21H26N2O3.H2O4S/c2*1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2;1-5(2,3)4/h2*3-7,13,16-17,19,22,24H,1,8-12H2,2H3;(H2,1,2,3,4)/t2*13-,16-,17-,19-;/m00./s1

InChIKey

RBKXSWUIOGMPGQ-LRHULBNDSA-N

Smiles

COC(=O)[C@@H](CO)[C@H]1C[C@H]2c3c(c4ccccc4[nH]3)CCN2C[C@@H]1C=C.COC(=O)[C@@H](CO)[C@H]1C[C@H]2c3c(c4ccccc4[nH]3)CCN2C[C@@H]1C=C.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 200mg/kg (200mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
"Catharanthus Alkaloids," Taylor, W.I., and N.R. Farnsworth, eds., New York, Marcel Dekker, 1975Vol. -, Pg. 73, 1975.