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Substance Name: 2-Chloro-ATP
RN: 49564-60-5
InChIKey: RNGCVFCOKZEZFL-UUOKFMHZSA-N

Note

  • New ATP analog; relaxes mammalian gut preparations.

Molecular Formula

  • C10-H15-Cl-N5-O13-P3

Molecular Weight

  • 541.625
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-ATP

Systematic Name

  • 2-Chloroadenosine-5-triphosphate

Registry Numbers

CAS Registry Number

  • 49564-60-5

System Generated Number

  • 0049564605

Structure Descriptors

InChI

1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1

InChIKey

RNGCVFCOKZEZFL-UUOKFMHZSA-N

Smiles

C([C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)nc(nc12)Cl)O[P@@](O[P@@](OP(=O)(O)O)(=O)O)(=O)O