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Substance Name: Actinobolin
RN: 24397-89-5
UNII: 999317A21F
InChIKey: PQVQBAAWCOTEBG-NSVWQLETSA-N

Note

  • Active against broad spectrum of bacteria & variety of rodent neoplasms.

Molecular Formula

  • C13-H20-N2-O6

Molecular Weight

  • 300.309
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
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Names and Synonyms

Name of Substance

  • Actinobolin

Synonyms

  • 4-(2-Aminopropionamido)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methylisocoumarin
  • Actinobolin
  • NSC 31083
  • UNII-999317A21F

Systematic Names

  • Isocoumarin, 4-(2-aminopropionamido)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-
  • Propanamide, 2-amino-N-(3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3R-(3alpha,4alpha(S*),4abeta,5beta,6alpha))-

Registry Numbers

CAS Registry Number

  • 24397-89-5

FDA UNII

  • 999317A21F

Other Registry Number

  • 11002-80-5

Related Registry Number

  • 31327-55-6 (sulfate)

System Generated Number

  • 0024397895

Structure Descriptors

InChI

1S/C13H20N2O6/c1-4(14)12(19)15-10-5(2)21-13(20)8-6(16)3-7(17)11(18)9(8)10/h4-5,7,9-11,16-18H,3,14H2,1-2H3,(H,15,19)/t4-,5+,7+,9+,10-,11-/m0/s1

InChIKey

PQVQBAAWCOTEBG-NSVWQLETSA-N

Smiles

C[C@H](N)C(=O)N[C@H]1[C@@H](C)OC(=O)C2=C(O)C[C@@H](O)[C@H](O)[C@@H]12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2844mg/kg (2844mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 intravenous 6250ug/kg (6.25mg/kg)   Journal of Antibiotics. Vol. 32, Pg. 1069, 1979.
mouse LD50 subcutaneous 1828mg/kg (1828mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LDLo unreported 2gm/kg (2000mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 2, Pg. 1368, 1978.
rat LD50 intravenous 1550mg/kg (1550mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Antibiotics Annual. Vol. 6, Pg. 497, 1958/1959.