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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12
Molecular Weight 156.2237
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,6-DIMETHYLNAPHTHALENE

SMILES

CC1=CC2=CC=CC(C)=C2C=C1

InChI

InChIKey=CBMXCNPQDUJNHT-UHFFFAOYSA-N
InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H12
Molecular Weight 156.2237
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.
2001 Mar
Disposition and metabolism of 1,6-dimethylnaphthalene in rats.
2002 Aug 5
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.
2005 Jun 2
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:14:24 GMT 2023
Edited
by admin
on Fri Dec 15 19:14:24 GMT 2023
Record UNII
DXN13WI5EY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,6-DIMETHYLNAPHTHALENE
HSDB  
Systematic Name English
1,6-DIMETHYLNAPHTHALENE [HSDB]
Common Name English
NAPHTHALENE, 1,6-DIMETHYL-
Systematic Name English
DIMETHYLNAPHTHALENE, 1,6-
Systematic Name English
NSC-52966
Code English
Code System Code Type Description
NSC
52966
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
PRIMARY
CHEBI
34065
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
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EPA CompTox
DTXSID7022415
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
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CAS
575-43-9
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
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ECHA (EC/EINECS)
209-385-1
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
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HSDB
6024
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
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PUBCHEM
11328
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
PRIMARY
FDA UNII
DXN13WI5EY
Created by admin on Fri Dec 15 19:14:24 GMT 2023 , Edited by admin on Fri Dec 15 19:14:24 GMT 2023
PRIMARY