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Substance Name: Zorbamycin [USAN]
RN: 11056-20-5
UNII: IQZ99Q218Q
InChIKey: UJKRUPHWCPAJIL-CPLCKGKLSA-N

Note

  • Antibiotic related to bleomycin & phleomycin.

Molecular Formula

  • C56-H100-N18-O24-S2.Cu.2Cl-H

Molecular Weight

  • 1412.5205
 

Classification Codes

  • Antibacterial
  • Antibacterial Agents
  • Drug / Therapeutic Agent
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Zorbamycin
  • Zorbamycin [USAN]

Synonyms

  • U-30,604
  • U-30604
  • UNII-IQZ99Q218Q
  • Zorbamycin

Systematic Name

  • Zorbamycin

Registry Numbers

CAS Registry Number

  • 11056-20-5

FDA UNII

  • IQZ99Q218Q

System Generated Number

  • 0011056205

Molecular Formulas

Molecular Formula

  • C56-H100-N18-O24-S2.Cu.2Cl-H

Molecular Formula Fragments

  • C56-H100-N18-O24-S2
  • Cl-H
  • COMPONENT
  • Cu

Structure Descriptors

InChI

1S/C55H85N19O21S2/c1-19-32(71-45(74-43(19)60)24(12-30(59)77)66-13-22(56)44(61)83)48(86)72-33(39(25-14-63-18-67-25)93-53-41(37(81)35(79)21(3)91-53)94-52-38(82)40(95-54(62)89)36(80)28(15-76)92-52)49(87)69-23(8-11-75)34(78)20(2)46(84)73-42(55(4,5)90)50(88)65-10-7-31-68-27(17-96-31)51-70-26(16-97-51)47(85)64-9-6-29(57)58/h14,16,18,20-24,27-28,33-42,52-53,66,75-76,78-82,90H,6-13,15,17,56H2,1-5H3,(H3,57,58)(H2,59,77)(H2,61,83)(H2,62,89)(H,63,67)(H,64,85)(H,65,88)(H,69,87)(H,72,86)(H,73,84)(H2,60,71,74)/t20-,21-,22-,23+,24-,27+,28+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,52+,53-/m0/s1

InChIKey

UJKRUPHWCPAJIL-CPLCKGKLSA-N

Smiles

Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)C)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](CCO)[C@H]([C@H](C)C(=O)N[C@H](C(=O)NCCC5=N[C@H](CS5)c6nc(cs6)C(=O)NCCC(=N)N)C(C)(C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22mg/kg (22mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.