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Substance Name: Solanocapsine
RN: 639-86-1
UNII: WWQ51S32N8
InChIKey: ZPTJKUUQUDRHTL-QAQRTNARSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C27-H46-N2-O2

Molecular Weight

  • 430.672
 
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Names and Synonyms

Name of Substance

  • Solanocapsine

Synonyms

  • NSC 102622
  • Solanocapsin
  • Solanocapsine
  • UNII-WWQ51S32N8

Systematic Names

  • 16,28-Secosolanidan-23-ol, 3-amino-16,23-epoxy-, (3beta,5alpha,16alpha,22alpha,23beta,25beta)- (9CI)
  • Solanocapsine

Registry Numbers

CAS Registry Number

  • 639-86-1

FDA UNII

  • WWQ51S32N8

System Generated Number

  • 0000639861

Structure Descriptors

InChI

1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1

InChIKey

ZPTJKUUQUDRHTL-QAQRTNARSA-N

Smiles

O1[C@H]2[C@@H]([C@@]3([C@@H]([C@@H]4CC[C@@H]5[C@@]([C@H]4CC3)(CC[C@@H](N)C5)C)C2)C)[C@@H]([C@@H]2[C@@]1(C[C@@H](C)CN2)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 219, 1982.
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 219, 1982.