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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRIMIN

SMILES

CCCCCC1=CC(=O)C=C(OC)C1=O

InChI

InChIKey=WLWIMKWZMGJRBS-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16O3
Molecular Weight 208.2536
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.144 µM [IC50]
0.711 µM [IC50]
0.09 µM [IC50]
4.0 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Diaminodiphenylmethane (DDM): frequency of sensitization, clinical relevance and concomitant positive reactions.
2001 May
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:07:31 GMT 2023
Edited
by admin
on Sat Dec 16 11:07:31 GMT 2023
Record UNII
580KA9SG8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRIMIN
Common Name English
2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHOXY-6-PENTYL-
Systematic Name English
P-BENZOQUINONE, 2-METHOXY-6-PENTYL-
Common Name English
2-METHOXY-6-PENTYL-1,4-BENZOQUINONE
Systematic Name English
Code System Code Type Description
CHEBI
8413
Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023
PRIMARY
PUBCHEM
84800
Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023
PRIMARY
FDA UNII
580KA9SG8W
Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID20164734
Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023
PRIMARY
EVMPD
SUB169428
Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023
PRIMARY
SMS_ID
100000159421
Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023
PRIMARY
CAS
15121-94-5
Created by admin on Sat Dec 16 11:07:31 GMT 2023 , Edited by admin on Sat Dec 16 11:07:31 GMT 2023
PRIMARY
Related Record Type Details
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