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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28N4O9S
Molecular Weight 548.566
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(4-(1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)PIPERAZIN-1-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CC1=NC2=C(C=CC=C2N1S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=OBTPNXRPJFFUKB-UOAPUEHGSA-N
InChI=1S/C24H28N4O9S/c1-14-25-18-16(8-5-9-17(18)28(14)38(34,35)15-6-3-2-4-7-15)26-10-12-27(13-11-26)37-24-21(31)19(29)20(30)22(36-24)23(32)33/h2-9,19-22,24,29-31H,10-13H2,1H3,(H,32,33)/t19-,20-,21+,22-,24-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3S,4S,5R,6S)-6-(4-(1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)PIPERAZIN-1-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
SAM-760 METABOLITE 8
Common Name English
Code System Code Type Description
PUBCHEM
146019673
Created by admin on Sat Dec 16 15:44:17 GMT 2023 , Edited by admin on Sat Dec 16 15:44:17 GMT 2023
PRIMARY
FDA UNII
1L5A4571FX
Created by admin on Sat Dec 16 15:44:17 GMT 2023 , Edited by admin on Sat Dec 16 15:44:17 GMT 2023
PRIMARY