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Details

Stereochemistry MIXED
Molecular Formula C21H35NO2
Molecular Weight 333.5081
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[3-[4-(1,1-dimethylpropyl)-phenyl]-2-methylpropyl]-2,6-dimethylmorpholine 4-oxide

SMILES

CCC(C)(C)C1=CC=C(CC(C)C[N+]2([O-])C[C@H](C)O[C@H](C)C2)C=C1

InChI

InChIKey=DVFNIYYARRYOCZ-CXOKAFIMSA-N
InChI=1S/C21H35NO2/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22(23)14-17(3)24-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+,22?

HIDE SMILES / InChI

Molecular Formula C21H35NO2
Molecular Weight 333.5081
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:46:17 GMT 2023
Edited
by admin
on Sat Dec 16 19:46:17 GMT 2023
Record UNII
TT43RP3UQW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[3-[4-(1,1-dimethylpropyl)-phenyl]-2-methylpropyl]-2,6-dimethylmorpholine 4-oxide
Systematic Name English
AMOROLFINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
Ro 16-8652
Code English
Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, 4-oxide, (2α,6α)-
Common Name English
Code System Code Type Description
CAS
78613-39-5
Created by admin on Sat Dec 16 19:46:17 GMT 2023 , Edited by admin on Sat Dec 16 19:46:17 GMT 2023
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FDA UNII
TT43RP3UQW
Created by admin on Sat Dec 16 19:46:17 GMT 2023 , Edited by admin on Sat Dec 16 19:46:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID701116825
Created by admin on Sat Dec 16 19:46:17 GMT 2023 , Edited by admin on Sat Dec 16 19:46:17 GMT 2023
PRIMARY
PUBCHEM
101629816
Created by admin on Sat Dec 16 19:46:17 GMT 2023 , Edited by admin on Sat Dec 16 19:46:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY