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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18O3
Molecular Weight 234.2909
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STIRIPENTOL, (+)-

SMILES

CC(C)(C)[C@H](O)\C=C\C1=CC2=C(OCO2)C=C1

InChI

InChIKey=IBLNKMRFIPWSOY-VUDGCMKMSA-N
InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H18O3
Molecular Weight 234.2909
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:20:28 UTC 2023
Edited
by admin
on Sat Dec 16 18:20:28 UTC 2023
Record UNII
905E3Z0Z70
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STIRIPENTOL, (+)-
Common Name English
STIRIPENTOL (R)-FORM [MI]
Common Name English
(+)-STP
Common Name English
1-PENTEN-3-OL, 1-(1,3-BENZODIOXOL-5-YL)-4,4-DIMETHYL-
Systematic Name English
D-2232
Code English
(R)-(+)-STIRIPENTOL
Common Name English
(+)-STIRIPENTOL
Common Name English
Code System Code Type Description
FDA UNII
905E3Z0Z70
Created by admin on Sat Dec 16 18:20:28 UTC 2023 , Edited by admin on Sat Dec 16 18:20:28 UTC 2023
PRIMARY
MERCK INDEX
m10218
Created by admin on Sat Dec 16 18:20:28 UTC 2023 , Edited by admin on Sat Dec 16 18:20:28 UTC 2023
PRIMARY Merck Index
PUBCHEM
38988294
Created by admin on Sat Dec 16 18:20:28 UTC 2023 , Edited by admin on Sat Dec 16 18:20:28 UTC 2023
PRIMARY
CAS
144017-65-2
Created by admin on Sat Dec 16 18:20:28 UTC 2023 , Edited by admin on Sat Dec 16 18:20:28 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER