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Substance Name: 2-Chloro-AOPOPCP
RN: 35057-44-4
InChIKey: INCBEFXULMHULH-KQYNXXCUSA-N

Note

  • Analog of ATP; induces relaxation of isolated mammalian gut.

Molecular Weight

  • 459.6744
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-AOPOPCP

Systematic Name

  • 2-Chloro-5'-adenylyl methylenediphosphonate

Registry Numbers

CAS Registry Number

  • 35057-44-4

System Generated Number

  • 0035057444

Structure Descriptors

InChI

1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1

InChIKey

INCBEFXULMHULH-KQYNXXCUSA-N

Smiles

c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)Cl)N