U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H42O3
Molecular Weight 354.5671
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXYL-4-((R)-2-HYDROXYTRIDECYL)-2-OXETANONE, (3S,4S)-

SMILES

CCCCCCCCCCC[C@@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC

InChI

InChIKey=RSOUWOFYULUWNE-HKBOAZHASA-N
InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19(23)18-21-20(22(24)25-21)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20+,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-HEXYL-4-((R)-2-HYDROXYTRIDECYL)-2-OXETANONE, (3S,4S)-
Systematic Name English
ORLISTAT RELATED COMPOUND A, (-)-
Common Name English
ORLISTAT RELATED COMPOUND A [USP IMPURITY]
Common Name English
ORLISTAT RELATED COMPOUND A [USP-RS]
Common Name English
(3S,4S)-3-HEXYL-4-((R)-2-HYDROXYTRIDECYL)-2-OXETANONE
Systematic Name English
2-OXETANONE, 3-HEXYL-4-((2R)-2-HYDROXYTRIDECYL)-, (3S,4S)-
Systematic Name English
Code System Code Type Description
CAS
104872-06-2
Created by admin on Sat Dec 16 10:59:11 GMT 2023 , Edited by admin on Sat Dec 16 10:59:11 GMT 2023
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RS_ITEM_NUM
1478811
Created by admin on Sat Dec 16 10:59:11 GMT 2023 , Edited by admin on Sat Dec 16 10:59:11 GMT 2023
PRIMARY
PUBCHEM
10428248
Created by admin on Sat Dec 16 10:59:11 GMT 2023 , Edited by admin on Sat Dec 16 10:59:11 GMT 2023
PRIMARY
FDA UNII
BJV8QU12YI
Created by admin on Sat Dec 16 10:59:11 GMT 2023 , Edited by admin on Sat Dec 16 10:59:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID90146800
Created by admin on Sat Dec 16 10:59:11 GMT 2023 , Edited by admin on Sat Dec 16 10:59:11 GMT 2023
PRIMARY