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Substance Name: Gossypol acetic acid
RN: 12542-36-8
UNII: S7RL72610R
InChIKey: UQSDYUOCYHNROA-UHFFFAOYSA-N

Molecular Formula

  • Unspecified

Molecular Weight

  • 576.6384
 

Classification Codes

  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Antispermatogenic Agents
  • Contraceptive Agents
  • Contraceptive Agents, Female
  • Human Data
  • Mutation Data
  • Noxae
  • Reproductive Control Agents
  • Reproductive Effect
  • Spermatocidal Agents
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Names and Synonyms

Name of Substance

  • Gossypol acetic acid

Synonyms

  • Acetic acid gossypol
  • CCRIS 3483
  • Gossypol acetate
  • Gossypol acetic acid
  • UNII-S7RL72610R

Systematic Name

  • Gossypol acetic acid

Registry Numbers

CAS Registry Number

  • 12542-36-8

FDA UNII

  • S7RL72610R

Other Registry Number

  • 104257-14-9

System Generated Number

  • 0012542368

Structure Descriptors

InChI

1S/C31H32O7.C2H4O2/c1-12(2)22-18-8-14(5)24(29(36)26(18)17(16(7)33)10-21(22)34)25-15(6)9-19-23(13(3)4)31(38)28(35)20(11-32)27(19)30(25)37;1-2(3)4/h8-13,34-38H,1-7H3;1H3,(H,3,4)

InChIKey

UQSDYUOCYHNROA-UHFFFAOYSA-N

Smiles

Cc1cc2c(c(cc(c2C(C)C)O)C(=O)C)c(c1c3c(cc4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O.CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 75mg/kg (75mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.
man TDLo oral 282mg/kg/63W- (282mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Fertility and Sterility. Vol. 48, Pg. 459, 1987.
mouse LDLo oral 3gm/kg (3000mg/kg)   Biomaterials, Medical Devices, and Artificial Organs. Vol. 12, Pg. 1, 1984.