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Substance Name: Butyric acid, 2-amino-4-(12-methyl-7-benz(a)anthrylmethyl)thio-
RN: 66964-37-2
InChIKey: PZYDJZNTAVBABA-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C24-H23-N-O2-S

Molecular Weight

  • 389.517
 
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Names and Synonyms

Synonyms

  • BRN 2309657
  • S-(12-Methyl-7-benz(a)anthrylmethyl)homocysteine

Systematic Name

  • Butyric acid, 2-amino-4-(12-methyl-7-benz(a)anthrylmethyl)thio-

Registry Numbers

CAS Registry Number

  • 66964-37-2

System Generated Number

  • 0066964372

Structure Descriptors

InChI

1S/C24H23NO2S/c1-15-17-7-4-5-9-19(17)21(14-28-13-12-22(25)24(26)27)20-11-10-16-6-2-3-8-18(16)23(15)20/h2-11,22H,12-14,25H2,1H3,(H,26,27)

InChIKey

PZYDJZNTAVBABA-UHFFFAOYSA-N

Smiles

c12c(c(c3ccccc3c2C)CSCC[C@@H](C(O)=O)N)ccc2c1cccc2