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Substance Name: Bleomycin B4 hydrochloride
RN: 61287-31-8
InChIKey: QFIGACVSDDJISY-AXICBEQGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C60-H95-N23-O21-S2.Cl-H

Molecular Weight

  • 1575.14
 
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Names and Synonyms

Results Name

  • Bleomycin B4 hydrochloride

Synonyms

  • Bleomycin B4 HCl
  • Bleomycin B4 hydrochloride

Systematic Name

  • Bleomycinamide, N(sup 1)-(4-((aminoiminomethyl)(4-((aminoiminomethyl)amino)butyl)amino)butyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 61287-31-8

System Generated Number

  • 0061287318

Molecular Formulas

Molecular Formula

  • C60-H95-N23-O21-S2.Cl-H

Molecular Formula Fragments

  • C60-H95-N23-O21-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C60H95N23O21S2.ClH/c1-23-36(79-49(82-47(23)63)28(15-34(62)87)74-16-27(61)48(64)93)53(97)81-38(44(29-17-70-22-75-29)102-57-46(42(91)40(89)32(18-84)101-57)103-56-43(92)45(104-60(69)99)41(90)33(19-85)100-56)54(98)76-25(3)39(88)24(2)50(94)80-37(26(4)86)52(96)72-12-9-35-77-31(21-105-35)55-78-30(20-106-55)51(95)71-10-5-7-13-83(59(67)68)14-8-6-11-73-58(65)66;/h17,20-22,24-28,32-33,37-46,56-57,74,84-86,88-92H,5-16,18-19,61H2,1-4H3,(H2,62,87)(H2,64,93)(H3,67,68)(H2,69,99)(H,70,75)(H,71,95)(H,72,96)(H,76,98)(H,80,94)(H,81,97)(H2,63,79,82)(H4,65,66,73);1H/t24?,25?,26?,27?,28?,32-,33+,37?,38?,39?,40+,41+,42+,43-,44?,45-,46-,56+,57-;/m0./s1

InChIKey

QFIGACVSDDJISY-AXICBEQGSA-N

Smiles

O([C@@H]([C@@H](NC(c1nc([C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)nc(c1C)N)=O)C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc1nc(c2nc(C(NCCCCN(CCCCNC(N)=N)C(N)=N)=O)cs2)cs1)=O)[C@@H](C)O)=O)C)O)C)=O)c1c[nH]cn1)[C@H]1[C@@H](O[C@@H]2[C@H]([C@H]([C@H](O)[C@H](O2)CO)OC(N)=O)O)[C@@H]([C@H](O)[C@@H](O1)CO)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 44mg/kg (44mg/kg)   Antibiotiki. Vol. 24, Pg. 175, 1979.