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Substance Name: Brostallicin [INN]
RN: 203258-60-0
UNII: RPC6R41K4I
InChIKey: RXOVOXFAAGIKDQ-UHFFFAOYSA-N

Note

  • Alkylates DNA in the presence of cellular thiols.

Molecular Weight

  • 723.5895
 
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Names and Synonyms

Name of Substance

  • Brostallicin [INN]

Synonyms

  • Brostallicin
  • PNU-166196A
  • UNII-RPC6R41K4I

Systematic Name

  • 4-(2-Bromoacrylamido)-N'''-(2-guanidinoethyl)-1,1',1',1'''-tetramethyl-N,4':N',4':N',4'''-quater(pyrrole-2-carboxamide)

Registry Numbers

CAS Registry Number

  • 203258-60-0

FDA UNII

  • RPC6R41K4I

System Generated Number

  • 0203258600

Structure Descriptors

InChI

1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)

InChIKey

RXOVOXFAAGIKDQ-UHFFFAOYSA-N

Smiles

c1c(cn(c1C(=O)NCC/N=C(/N)N)C)NC(=O)c1n(cc(c1)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)C(=C)Br)C