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Substance Name: MPC-3100
RN: 958025-66-6
UNII: 9UMA2EEO9Q
InChIKey: CVBWTNHDKVVFMI-LBPRGKRZSA-N

Molecular Formula

  • C22-H25-Br-N6-O4-S

Molecular Weight

  • 549.4475
 
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Names and Synonyms

Name of Substance

  • MPC-3100

Synonyms

  • 1-Propanone, 1-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-2-hydroxy-, (2S)-
  • MPC 3100
  • MPC-3100
  • UNII-9UMA2EEO9Q

Registry Numbers

CAS Registry Number

  • 958025-66-6

FDA UNII

  • 9UMA2EEO9Q

System Generated Number

  • 0958025666

Structure Descriptors

InChI

InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1

InChIKey

CVBWTNHDKVVFMI-LBPRGKRZSA-N

Smiles

C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc5c(N)ncnc25)CC1