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Substance Name: 1,10-Heptadecadiene-5,7-diyn-3-ol, (E)-
RN: 14445-65-9
UNII: 66FS36RS6H
InChIKey: FXXPOEXJAUWMMJ-KTKRTIGZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C17-H24-O

Molecular Weight

  • 244.376
 
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Names and Synonyms

Name of Substance

  • 1,10-Heptadecadiene-5,7-diyn-3-ol, (E)-

Synonyms

  • Carotatoxin
  • UNII-66FS36RS6H

Systematic Name

  • 1,10-Heptadecadiene-5,7-diyn-3-ol, (E)-

Registry Numbers

CAS Registry Number

  • 14445-65-9

FDA UNII

  • 66FS36RS6H

System Generated Number

  • 0014445659

Structure Descriptors

InChI

1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-10,17-18H,2-3,5-8,11,16H2,1H3/b10-9-

InChIKey

FXXPOEXJAUWMMJ-KTKRTIGZSA-N

Smiles

C(C#CC\C=C/CCCCCC)#CC[C@@H](C=C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 100mg/kg (100mg/kg)   Tetrahedron. Vol. 23, Pg. 465, 1967.