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Structure

Adenosine,8-[(4-chlorophenyl)thio]-,cyclic 3',5'-(hydrogen phosphate),monosodium salt(9ci)

CAS
93882-12-3
Catalog Number
ACM93882123
Category
Other Products
Molecular Weight
493.79
Molecular Formula
C16H15ClN5O6PS.Na

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Specification

Synonyms
pCPT-cAMP, 93882-12-3, 8-(4-Chlorophenylthio)adenosine 3,5-cyclic monophosphate sodium salt, SMR000326853, 8-CPT cAMP, MLS000859994, MLS002153200, C3912_SIGMA, CHEMBL1257074, CTK8F7384, HMS2233E23, EINECS 299-413-9, AG-H-84460, Adenosine, 8-((4-chlorophenyl)thio)-, cyclic 3,5-(hydrogen phosphate), monosodium salt, sodium (4aR,6R,7R,7aS)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]purin-9-yl}-7-hydroxy-2-oxo-tetrahydro-4H-1,3,5,2|E5-furo[3,2-d][1,3,2|E5]dioxaphosphinin-2-olate
IUPAC Name
sodium;(4aR,6R,7R,7aS)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Canonical SMILES
C1C2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)OP(=O)(O1)[O-].[Na+]
InChI Key
YIJFVHMIFGLKQL-DNBRLMRSSA-M
Boiling Point
799.2ºC at 760 mmHg
Flash Point
437.1ºC
Appearance
White Powder
EC Number
299-413-9
Exact Mass
492.99900
H-Bond Acceptor
11
H-Bond Donor
2
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