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Substance Name: 7-Deoxypactamycin
RN: 104820-96-4
InChIKey: ZDHIGMAZJWYGPX-YONDKBSQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N4-O7

Molecular Weight

  • 542.6292
 
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Names and Synonyms

Results Name

  • 7-Deoxypactamycin

Synonyms

  • 7-Deoxypactamycin
  • PD 113618

Systematic Name

  • Benzoic acid, 2-hydroxy-6-methyl-, (5-((3-acetylphenyl)amino)-4-amino-3-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-3-ethyl-2-methylcyclopentyl)methyl ester, (1S-(1-alpha,2-beta,3-alpha,4-alpha,5-beta))-

Registry Numbers

CAS Registry Number

  • 104820-96-4

System Generated Number

  • 0104820964

Structure Descriptors

InChI

1S/C28H38N4O7/c1-7-27(31-25(36)32(5)6)22(29)23(30-19-12-9-11-18(14-19)17(3)33)28(38,26(27,4)37)15-39-24(35)21-16(2)10-8-13-20(21)34/h8-14,22-23,30,34,37-38H,7,15,29H2,1-6H3,(H,31,36)/t22-,23-,26+,27-,28+/m0/s1

InChIKey

ZDHIGMAZJWYGPX-YONDKBSQSA-N

Smiles

CC[C@@]1([C@H]([C@@H]([C@@]([C@]1(C)O)(COC(=O)c2c(cccc2O)C)O)Nc3cccc(c3)C(=O)C)N)NC(=O)N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1570ug/kg (1.57mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 1779, 1986.