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Details

Stereochemistry EPIMERIC
Molecular Formula C15H22N6O5S.C4H10O6S2
Molecular Weight 616.686
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADEMETIONINE BUTANEDISULFONATE

SMILES

OS(=O)(=O)CCCCS(O)(=O)=O.C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=CN=C3N

InChI

InChIKey=TYXBLACMHQBEEW-XKGORWRGSA-N
InChI=1S/C15H22N6O5S.C4H10O6S2/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;5-11(6,7)3-1-2-4-12(8,9)10/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1-4H2,(H,5,6,7)(H,8,9,10)/t7-,8+,10+,11+,14+,27?;/m0./s1

HIDE SMILES / InChI

Molecular Formula C15H23N6O5S
Molecular Weight 399.445
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H9O6S2
Molecular Weight 217.241
Charge -1
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 Fri Dec 15 15:51:30 GMT 2023
Edited
by admin
on Fri Dec 15 15:51:30 GMT 2023
Record UNII
C5BTS0548U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADEMETIONINE BUTANEDISULFONATE
MART.  
Common Name English
ADEMETIONINE BUTANEDISULFONATE [MART.]
Common Name English
Ademetionine 1,4-butanedisulfonate [WHO-DD]
Common Name English
S-ADENOSYLMETHIONINE 1,4-BUTANEDISULFONATE [MI]
Common Name English
SAMYR
Brand Name English
ADENOSINE, 5'-((R)-((3S)-3-AMINO-3-CARBOXYPROPYL)METHYLSULFONIO)-5'-DEOXY-, 1,4-BUTANEDISULFONATE (1:1)
Common Name English
S-ADENOSYLMETHIONINE 1,4-BUTANEDISULFONATE
MI  
Systematic Name English
ADEMETIONINE 1,4-BUTANEDISULFONATE
WHO-DD  
Common Name English
DONAMET
Brand Name English
Code System Code Type Description
MERCK INDEX
m1414
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
PRIMARY Merck Index
FDA UNII
C5BTS0548U
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
PRIMARY
PUBCHEM
71587625
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
PRIMARY
CAS
566199-75-5
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
ALTERNATIVE
CAS
200393-05-1
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
PRIMARY
EVMPD
SUB33410
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
PRIMARY
SMS_ID
100000126057
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
PRIMARY
DRUG BANK
DBSALT000873
Created by admin on Fri Dec 15 15:51:30 GMT 2023 , Edited by admin on Fri Dec 15 15:51:30 GMT 2023
PRIMARY