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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C18H23N5O8P.Ba
Molecular Weight 1074.082
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUCLADESINE BARIUM

SMILES

[Ba++].CCCC(=O)NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3OC(=O)CCC.CCCC(=O)NC5=NC=NC6=C5N=CN6[C@@H]7O[C@@H]8COP([O-])(=O)O[C@H]8[C@H]7OC(=O)CCC

InChI

InChIKey=SGRJEVOMCAWIMW-NGVPHMJWSA-L
InChI=1S/2C18H24N5O8P.Ba/c2*1-3-5-11(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;/h2*8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;;+2/p-2/t2*10-,14-,15-,18-;/m11./s1

HIDE SMILES / InChI

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

Molecular Formula Ba
Molecular Weight 137.327
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:04:57 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:57 GMT 2023
Record UNII
2ZC4ZS8T1A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUCLADESINE BARIUM
Common Name English
BUCLADESINE BARIUM SALT [MI]
Common Name English
ADENOSINE, N-(1-OXOBUTYL)-, CYCLIC 3',5'-(HYDROGEN PHOSPHATE) 2'-BUTANOATE, BARIUM SALT (2:1)
Systematic Name English
BUCLADESINE BARIUM SALT
MI  
Common Name English
Code System Code Type Description
MERCK INDEX
m2743
Created by admin on Sat Dec 16 09:04:57 GMT 2023 , Edited by admin on Sat Dec 16 09:04:57 GMT 2023
PRIMARY Merck Index
PUBCHEM
72941524
Created by admin on Sat Dec 16 09:04:57 GMT 2023 , Edited by admin on Sat Dec 16 09:04:57 GMT 2023
PRIMARY
CAS
18837-96-2
Created by admin on Sat Dec 16 09:04:57 GMT 2023 , Edited by admin on Sat Dec 16 09:04:57 GMT 2023
PRIMARY
FDA UNII
2ZC4ZS8T1A
Created by admin on Sat Dec 16 09:04:57 GMT 2023 , Edited by admin on Sat Dec 16 09:04:57 GMT 2023
PRIMARY