Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pepleomycin, decarbamoyl-
RN: 102629-88-9
InChIKey: NAQYZRWMYBRSCO-XIBYTLJMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C60-H87-N17-O20-S2

Molecular Weight

  • 1430.5783
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Decarbamoylpepleomycin

Systematic Name

  • Pepleomycin, decarbamoyl-

Registry Numbers

CAS Registry Number

  • 102629-88-9

System Generated Number

  • 0102629889

Structure Descriptors

InChI

1S/C60H87N17O20S2/c1-24-39(74-52(77-50(24)63)31(16-37(62)81)69-17-30(61)51(64)88)56(92)76-41(48(32-18-65-23-70-32)96-60-49(46(86)44(84)36(20-79)95-60)97-59-47(87)45(85)43(83)35(19-78)94-59)57(93)71-27(4)42(82)25(2)53(89)75-40(28(5)80)55(91)68-15-12-38-72-34(22-98-38)58-73-33(21-99-58)54(90)67-14-9-13-66-26(3)29-10-7-6-8-11-29/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,66,69,78-80,82-87H,9,12-17,19-20,61H2,1-5H3,(H2,62,81)(H2,64,88)(H,65,70)(H,67,90)(H,68,91)(H,71,93)(H,75,89)(H,76,92)(H2,63,74,77)/t25?,26?,27?,28?,30?,31?,35-,36+,40?,41?,42?,43-,44-,45+,46+,47+,48?,49+,59-,60+/m1/s1

InChIKey

NAQYZRWMYBRSCO-XIBYTLJMSA-N

Smiles

Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2cnc[nH]2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNC(C)c7ccccc7)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 32, Pg. 36, 1979.
mouse LDLo intraperitoneal 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Antibiotics. Vol. 32, Pg. 36, 1979.