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Substance Name: Petrosamine
RN: 113403-19-3
InChIKey: QBVVJRAGOGTIHV-UHFFFAOYSA-N

Molecular Formula

  • C21-H17-Br-N3-O2

Molecular Weight

  • 409.305
 
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Names and Synonyms

  • Petrosamine

Registry Numbers

CAS Registry Number

  • 113403-19-3

System Generated Number

  • 0113403193

Structure Descriptors

InChI

1S/C21H19BrN3O/c1-24-7-6-14-12(10-24)8-17-20-19(18(26)11-25(17,2)3)15-5-4-13(22)9-16(15)23-21(14)20/h4-7,9-10H,8,11H2,1-3H3/q+1

InChIKey

QBVVJRAGOGTIHV-UHFFFAOYSA-N

Smiles

C1=C2C(=c3c4=C(C2)[N+](CC(c4c2ccc(cc2n3)Br)=O)(C)C)C=CN1C