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Substance Name: Blastomycin [NF]
RN: 522-70-3
UNII: 7JMI3P2Y5R
InChIKey: PVEVXUMVNWSNIG-PVWHJNASSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Insecticide
  • Natural Product

Molecular Formula

  • C26-H36-N2-O9

Molecular Weight

  • 520.575
 
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Names and Synonyms

Name of Substance

  • Blastmycin
  • Blastomycin [NF]

Synonyms

  • A 80021F34
  • Antimycin A3
  • Blastomycin
  • EINECS 208-335-6
  • NSC 58239
  • UNII-7JMI3P2Y5R

Systematic Names

  • (2R-(2R*,3S*,6S*,7R*,8R*))-8-Butyl-3-(3-formamidosalicylamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate
  • Butanoic acid, 2(or 3)-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R,3S,6S,7R,8R)-
  • Butanoic acid, 3-methyl-, 8-butyl-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))- (9CI)
  • Isovaleric acid, N-ester with N-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide, stereoisomer

Registry Numbers

CAS Registry Number

  • 522-70-3

FDA UNII

  • 7JMI3P2Y5R

Other Registry Numbers

  • 11011-32-8
  • 1362-89-6

System Generated Number

  • 0000522703

Structure Descriptors

InChI

1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15?,16-,18+,21?,23+/m0/s1

InChIKey

PVEVXUMVNWSNIG-PVWHJNASSA-N

Smiles

C1([C@@H]([C@@H]([C@@H](OC(=O)[C@@H]([C@@H](O1)C)NC(c1c(c(ccc1)NC=O)O)=O)C)OC(CC(C)C)=O)CCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1800ug/kg (1.8mg/kg)   Journal of Antibiotics, Series A. Vol. 10, Pg. 39, 1957.
mouse LD50 intravenous 900ug/kg (0.9mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 145, 1967.
mouse LD50 subcutaneous 1600ug/kg (1.6mg/kg)   Journal of Antibiotics, Series A. Vol. 10, Pg. 39, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
log P (octanol-water) 3.300 (none)   EST
Atmospheric OH Rate Constant 5.37E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.