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Details

Stereochemistry ACHIRAL
Molecular Formula C11H17NO2
Molecular Weight 195.2582
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENEMETHANOL, 3-(AMINOMETHYL)-4-METHOXY-.ALPHA.,.ALPHA.-DIMETHYL-

SMILES

COC1=CC=C(C=C1CN)C(C)(C)O

InChI

InChIKey=VIWSUTFDBPMYMJ-UHFFFAOYSA-N
InChI=1S/C11H17NO2/c1-11(2,13)9-4-5-10(14-3)8(6-9)7-12/h4-6,13H,7,12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H17NO2
Molecular Weight 195.2582
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 Sat Dec 16 16:12:41 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:41 GMT 2023
Record UNII
X5YT1TK5HT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEMETHANOL, 3-(AMINOMETHYL)-4-METHOXY-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
EZLOPITANT METABOLITE M4
Common Name English
3-(AMINOMETHYL)-4-METHOXY-.ALPHA.,.ALPHA.-DIMETHYLBENZENEMETHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
X5YT1TK5HT
Created by admin on Sat Dec 16 16:12:41 GMT 2023 , Edited by admin on Sat Dec 16 16:12:41 GMT 2023
PRIMARY
CAS
1810050-08-8
Created by admin on Sat Dec 16 16:12:41 GMT 2023 , Edited by admin on Sat Dec 16 16:12:41 GMT 2023
PRIMARY
PUBCHEM
154572826
Created by admin on Sat Dec 16 16:12:41 GMT 2023 , Edited by admin on Sat Dec 16 16:12:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE