Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ambamustine [INN]
RN: 85754-59-2
UNII: IB1H345F24
InChIKey: XPGDODOEEWLHOI-GSDHBNRESA-N

Note

  • Tripeptide mustard.

Classification Code

  • Antineoplastic Agents

Molecular Formula

  • C29-H39-Cl2-F-N4-O4-S

Molecular Weight

  • 629.621
 
* 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

Name of Substance

  • Ambamustine [INN]

Synonyms

  • Ambamustine
  • N-(3-(m-(Bis(2-chloroethyl)amino)phenyl)-N-(3-(p-fluorophenyl)-L-alanyl)-L-alanyl)-L-methionine, ethyl ester
  • UNII-IB1H345F24

Systematic Name

  • N-(3-(m-(Bis(2-chloroethyl)amino)phenyl)-N-(3-(p-fluorophenyl)-L-alanyl)-L-alanyl)-L-methionine, ethyl ester

Registry Numbers

CAS Registry Number

  • 85754-59-2

FDA UNII

  • IB1H345F24

System Generated Number

  • 0085754592

Structure Descriptors

InChI

1S/C29H39Cl2FN4O4S/c1-3-40-29(39)25(11-16-41-2)34-28(38)26(35-27(37)24(33)18-20-7-9-22(32)10-8-20)19-21-5-4-6-23(17-21)36(14-12-30)15-13-31/h4-10,17,24-26H,3,11-16,18-19,33H2,1-2H3,(H,34,38)(H,35,37)/t24-,25-,26-/m0/s1

InChIKey

XPGDODOEEWLHOI-GSDHBNRESA-N

Smiles

c1(ccc(F)cc1)C[C@H](N)C(N[C@H](C(N[C@H](C(OCC)=O)CCSC)=O)Cc1cc(ccc1)N(CCCl)CCCl)=O