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Substance Name: Ocaphane
RN: 3734-80-3
InChIKey: IKQQYIXDSFFRTE-ZDUSSCGKSA-N

Molecular Weight

  • 319.23
 
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Names and Synonyms

Name of Substance

  • Ocaphane

Synonym

  • AT-581

Systematic Name

  • o-(Bis-(2-chloroethyl)-aminomethyl)phenylalanine

Registry Numbers

CAS Registry Number

  • 3734-80-3

Related Registry Number

  • 2185-98-0 (di-hydrochloride)

System Generated Number

  • 0003734803

Structure Descriptors

InChI

1S/C14H20Cl2N2O2/c15-5-7-18(8-6-16)10-12-4-2-1-3-11(12)9-13(17)14(19)20/h1-4,13H,5-10,17H2,(H,19,20)/t13-/m0/s1

InChIKey

IKQQYIXDSFFRTE-ZDUSSCGKSA-N

Smiles

C([C@@H](N)Cc1c(cccc1)CN(CCCl)CCCl)(=O)O