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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O3
Molecular Weight 208.2541
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(C1=O)OC

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 208.2541
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
Target ID: Taxonomy ID: 31286
0.144 µM [IC50]
Target ID: Taxonomy ID: 5661
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
Allergic contact sensitivity in elderly patients.
2004 Jun
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 00:48:15 UTC 2021
Edited
by admin
on Sat Jun 26 00:48:15 UTC 2021
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
PUBCHEM
84800
Created by admin on Sat Jun 26 00:48:15 UTC 2021 , Edited by admin on Sat Jun 26 00:48:15 UTC 2021
PRIMARY
FDA UNII
580KA9SG8W
Created by admin on Sat Jun 26 00:48:15 UTC 2021 , Edited by admin on Sat Jun 26 00:48:15 UTC 2021
PRIMARY
EPA CompTox
15121-94-5
Created by admin on Sat Jun 26 00:48:15 UTC 2021 , Edited by admin on Sat Jun 26 00:48:15 UTC 2021
PRIMARY
EVMPD
SUB169428
Created by admin on Sat Jun 26 00:48:15 UTC 2021 , Edited by admin on Sat Jun 26 00:48:15 UTC 2021
PRIMARY
CAS
15121-94-5
Created by admin on Sat Jun 26 00:48:15 UTC 2021 , Edited by admin on Sat Jun 26 00:48:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT