Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-
RN: 79808-88-1
InChIKey: BYXPUNYKMOQXSI-CSRWUROZSA-N

Molecular Formula

  • C27-H31-N-O5

Molecular Weight

  • 449.5439
 
* 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

  • Hypognavine

Systematic Name

  • Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-

Registry Numbers

CAS Registry Number

  • 79808-88-1

System Generated Number

  • 0079808881

Structure Descriptors

InChI

1S/C27H31NO5/c1-13-15-8-16-20-27-19-17(10-25(16,21(13)29)26(27,32)9-15)28(20)12-24(19,2)11-18(22(27)30)33-23(31)14-6-4-3-5-7-14/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17+,18-,19+,20?,21+,22+,24-,25?,26-,27?/m0/s1

InChIKey

BYXPUNYKMOQXSI-CSRWUROZSA-N

Smiles

C[C@@]12C[C@@H]([C@H](C34[C@@H]1[C@H]5CC67[C@]3(C[C@H](C[C@@H]6C4N5C2)C(=C)[C@H]7O)O)O)OC(=O)c8ccccc8

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11400ug/kg (11.4mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Chemical and Pharmaceutical Bulletin. Vol. 30, Pg. 1844, 1982.
mouse LD50 oral 54800ug/kg (54.8mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 30, Pg. 1844, 1982.
mouse LD50 oral 54800ug/kg (54.8mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Chemical and Pharmaceutical Bulletin. Vol. 30, Pg. 1844, 1982.