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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10BrN5O6P.Na.H2O
Molecular Weight 448.099
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-BROMO-CYCLIC AMP SODIUM MONOHYDRATE

SMILES

O.[Na+].[H][C@@]12COP([O-])(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)N3C(Br)=NC4=C3N=CN=C4N

InChI

InChIKey=XWDDEXWQQLBWNV-LGVAUZIVSA-M
InChI=1S/C10H11BrN5O6P.Na.H2O/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6;;/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14);;1H2/q;+1;/p-1/t3-,5-,6-,9-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
8-BROMO-CYCLIC AMP SODIUM MONOHYDRATE
Common Name English
8-BROMOADENOSINE 3,5-CYCLIC MONOPHOSPHATE SODIUM SALT MONOHYDRATE
Common Name English
ADENOSINE, 8-BROMO-, CYCLIC 3',5'-(HYDROGEN PHOSPHATE), MONOSODIUM SALT, MONOHYDRATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30635662
Created by admin on Sat Dec 16 08:47:04 GMT 2023 , Edited by admin on Sat Dec 16 08:47:04 GMT 2023
PRIMARY
PUBCHEM
23693103
Created by admin on Sat Dec 16 08:47:04 GMT 2023 , Edited by admin on Sat Dec 16 08:47:04 GMT 2023
PRIMARY
FDA UNII
7K8E6IY5RV
Created by admin on Sat Dec 16 08:47:04 GMT 2023 , Edited by admin on Sat Dec 16 08:47:04 GMT 2023
PRIMARY
CAS
123334-12-3
Created by admin on Sat Dec 16 08:47:04 GMT 2023 , Edited by admin on Sat Dec 16 08:47:04 GMT 2023
PRIMARY