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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23N5O8P.Na
Molecular Weight 491.3675
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUCLADESINE SODIUM

SMILES

[Na+].CCCC(=O)NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3OC(=O)CCC

InChI

InChIKey=KRBZRVBLIUDQNG-JBVYASIDSA-M
InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H23N5O8P
Molecular Weight 468.3777
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:14:30 UTC 2023
Edited
by admin
on Sat Dec 16 05:14:30 UTC 2023
Record UNII
4DZN2C97A7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUCLADESINE SODIUM
JAN   MART.   WHO-DD  
Common Name English
DIBUTYRYL CYCLIC AMP SODIUM
Common Name English
DIBUTYRYL ADENOSINE CYCLIC MONOPHOSPHATE SODIUM SALT
Common Name English
N-(9-.BETA.-D-RIBOFURANOSYL-9H-PURIN-6-YL)BUTYRAMIDE CYCLIC 3',5'-(HYDROGEN PHOSPHATE) 2'-BUTYRATE SODIUM
Common Name English
Bucladesine sodium [WHO-DD]
Common Name English
SODIUM DIBUTYRYL ADENOSINE-3,5-CYCLIC PHOSPHATE
Common Name English
BUCLADESINE SODIUM [MART.]
Common Name English
BUCLADESINE SODIUM [JAN]
Common Name English
BUCLADESINE SODIUM SALT [MI]
Common Name English
BUCLADESINE SODIUM SALT
MI  
Common Name English
Code System Code Type Description
EVMPD
SUB00888MIG
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID60937686
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
241-059-4
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
MERCK INDEX
m2743
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL485980
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
PUBCHEM
23663967
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
FDA UNII
4DZN2C97A7
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
SMS_ID
100000085145
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
CAS
16980-89-5
Created by admin on Sat Dec 16 05:14:31 UTC 2023 , Edited by admin on Sat Dec 16 05:14:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY