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Substance Name: Phleomycin D1
RN: 11031-11-1
UNII: O0VC1NEK5M
InChIKey: CWCMIVBLVUHDHK-ZSNHEYEWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C55-H86-N20-O21-S2

Molecular Weight

  • 1427.5354
 
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Names and Synonyms

Name of Substance

  • Phleomycin D1

Synonyms

  • UNII-O0VC1NEK5M
  • Zeocin
  • Zeocine

Systematic Name

  • Phleomycin D1

Registry Numbers

CAS Registry Number

  • 11031-11-1

FDA UNII

  • O0VC1NEK5M

Other Registry Number

  • 181494-14-4

System Generated Number

  • 0011031111

Structure Descriptors

InChI

1S/C55H86N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16,18,20-24,27-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,17,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/t20-,21+,22+,23-,24-,27+,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1

InChIKey

CWCMIVBLVUHDHK-ZSNHEYEWSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4cnc[nH]4)C(=O)NCCC5=N[C@H](CS5)c6nc(cs6)C(=O)NCCCCNC(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.