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Substance Name: N(6)-(12-Methylbenzanthracenyl-7-methyl)deoxyadenosine
RN: 78493-10-4
InChIKey: QTJKRASRUTVRSR-JIMJEQGWSA-N

Note

  • Adduct between carcinogen 7-bromomethyl-12-methylbenz(a)anthracene & 2'-deoxyadenosine.

Molecular Weight

  • 505.575
 
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Names and Synonyms

Name of Substance

  • N(6)-(12-Methylbenzanthracenyl-7-methyl)deoxyadenosine

Synonyms

  • Mbamda
  • N(6)-(12-Methylbenz(a)anthracenyl-7-methyl)deoxyadenosine

Systematic Name

  • Adenosine, 2'-deoxy-N-((12-methylbenz(a)anthracen-7-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 78493-10-4

System Generated Number

  • 0078493104

Structure Descriptors

InChI

1S/C30H27N5O3/c1-17-19-7-4-5-9-21(19)23(22-11-10-18-6-2-3-8-20(18)27(17)22)13-31-29-28-30(33-15-32-29)35(16-34-28)26-12-24(37)25(14-36)38-26/h2-11,15-16,24-26,36-37H,12-14H2,1H3,(H,31,32,33)/t24-,25+,26+/m0/s1

InChIKey

QTJKRASRUTVRSR-JIMJEQGWSA-N

Smiles

c1c2c(c3c(c1)cccc3)c(c1c(cccc1)c2CNc1ncnc2n(cnc12)[C@H]1C[C@@H]([C@H](O1)CO)O)C