ADEMETIONINE BUTANEDISULFONATE

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

Structure Search

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

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Name

Type

Language

ADEMETIONINE BUTANEDISULFONATE

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

Systematic Name

English

ADEMETIONINE 1,4-BUTANEDISULFONATE

Common Name

English

DONAMET

Brand Name

English

Code System Code Type Description

MERCK INDEX

m1414