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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H44O4
Molecular Weight 372.5824
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXYL-3,5-DIHYDROXYHEXADECANOIC ACID, (2S,3R,5S)-

SMILES

CCCCCCCCCCC[C@H](O)C[C@@H](O)[C@H](CCCCCC)C(O)=O

InChI

InChIKey=NIMYTNQMVAFHGS-PCCBWWKXSA-N
InChI=1S/C22H44O4/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21(24)20(22(25)26)17-15-8-6-4-2/h19-21,23-24H,3-18H2,1-2H3,(H,25,26)/t19-,20-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-HEXYL-3,5-DIHYDROXYHEXADECANOIC ACID, (2S,3R,5S)-
Common Name English
ORLISTAT (M3)
Common Name English
HEXADECANOIC ACID, 2-HEXYL-3,5-DIHYDROXY-, (2S-(2R*,3S*,5R*))-
Systematic Name English
(2S,3R,5S)-2-HEXYL-3,5-DIHYDROXYHEXADECANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
130793-29-2
Created by admin on Sat Dec 16 09:33:58 GMT 2023 , Edited by admin on Sat Dec 16 09:33:58 GMT 2023
PRIMARY
FDA UNII
MN2TK5DT87
Created by admin on Sat Dec 16 09:33:58 GMT 2023 , Edited by admin on Sat Dec 16 09:33:58 GMT 2023
PRIMARY
PUBCHEM
14607538
Created by admin on Sat Dec 16 09:33:58 GMT 2023 , Edited by admin on Sat Dec 16 09:33:58 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ORLISTAT
NIH
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