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Substance Name: Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, hydrochloride, (7aS-(7(2R*,3S*),7aR*))-
RN: 106455-44-1
InChIKey: IAZXZAXZQOMXBB-LJWLWREDSA-N

Molecular Formula

  • C15-H25-N-O4.Cl-H

Molecular Weight

  • 319.826
 
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Names and Synonyms

Synonyms

  • Supinin hydrochloride
  • Supinine hydrochloride

Systematic Name

  • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, hydrochloride, (7aS-(7(2R*,3S*),7aR*))-

Registry Numbers

CAS Registry Number

  • 106455-44-1

System Generated Number

  • 0106455441

Molecular Formulas

Molecular Formula

  • C15-H25-N-O4.Cl-H

Molecular Formula Fragments

  • C15-H25-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H25NO4.ClH/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16;/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3;1H/t11-,13?,15?;/m0./s1

InChIKey

IAZXZAXZQOMXBB-LJWLWREDSA-N

Smiles

C=1([C@@H]2[N@@H+](CC1)CCC2)COC([C@@](C(C)C)([C@H](C)O)O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 450mg/kg (450mg/kg) VASCULAR: OTHER CHANGES

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Frontiers of Biology. Vol. 9, Pg. 142, 1968.