(+)-cis-anti-N2-BPDE-dG

Product Specifications

CAS Number

9007-83-4

Synonyms

[7R-(7α,8β,9β,10β)]-2'-Deoxy-N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo[a]pyren-10-yl)-Guanosine; Benzo[a]pyrene, guanosine deriv.; (+)-cis-anti-7,8,9-Trihydroxy-10-(2'-deoxyguanosin-2-yl)benzo[a]pyrene; 2′-Deoxy-N-[(7R,8S,9R,10R)-7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo[a]pyren-10-yl]guanosine (ACI); (+)-cis-anti-7,8,9-Trihydroxy-10-(2′-deoxyguanosin-2-yl)benzo[a]pyrene; (+)-cis-anti-N2-BPDE-dG

Hazard Statement

No Data Available

Smiles

N([C@@H]1C=2C=3C4=C5C(=CC3)C=CC=C5C=CC4=CC2[C@@H](O)[C@H](O)[C@@H]1O)C=6NC=7N(C=NC7C(=O)N6)[C@@H]8O[C@H](CO)[C@@H](O)C8

Molecular Formula

C30H27N5O7

Molecular Weight

569.57

InChI

InChI=1S/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23+,25+,26+,27-/m0/s1

Additionnal Information

IUPAC name: 9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-(((7R,8S,9R,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl)amino)-3,9-dihydro-6H-purin-6-one