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Details

Stereochemistry ACHIRAL
Molecular Formula C16H30O5
Molecular Weight 302.4064
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEMCABENE

SMILES

CC(C)(CCCCOCCCCC(C)(C)C(O)=O)C(O)=O

InChI

InChIKey=SDMBRCRVFFHJKR-UHFFFAOYSA-N
InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C16H30O5
Molecular Weight 302.4064
Charge 0
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 15:43:59 UTC 2023
Edited
by admin
on Fri Dec 15 15:43:59 UTC 2023
Record UNII
B96UX1DDKS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GEMCABENE
INN  
INN  
Official Name English
HEXANOIC ACID, 6,6'-OXYBIS 2,2-DIMETHYL-
Common Name English
PD-0072953
Code English
gemcabene [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 419313
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
NCI_THESAURUS C98150
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID60171407
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
DRUG BANK
DB05123
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
FDA UNII
B96UX1DDKS
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
CAS
183293-82-5
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110686
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
PUBCHEM
157692
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
INN
8229
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
SMS_ID
300000034205
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
NCI_THESAURUS
C72794
Created by admin on Fri Dec 15 15:43:59 UTC 2023 , Edited by admin on Fri Dec 15 15:43:59 UTC 2023
PRIMARY
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TARGET -> AGONIST
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