U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO
Molecular Weight 179.2588
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLRACEPHEDRINE

SMILES

CN[C@H](C)[C@@H](O)C1=CC=C(C)C=C1

InChI

InChIKey=DUESQFQLBNOCIT-MWLCHTKSSA-N
InChI=1S/C11H17NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,11-13H,1-3H3/t9-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H17NO
Molecular Weight 179.2588
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:43 UTC 2023
Edited
by admin
on Sat Dec 16 11:03:43 UTC 2023
Record UNII
L5YAA08T2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLRACEPHEDRINE
Common Name English
1-(4-METHYLPHENYL)-2-(METHYLAMINO)-1-PROPANOL
Systematic Name English
BENZENEMETHANOL, 4-METHYL-.ALPHA.-((1R)-1-(METHYLAMINO)ETHYL)-, (.ALPHA.S)-REL-
Systematic Name English
BENZENEMETHANOL, 4-METHYL-.ALPHA.-(1-(METHYLAMINO)ETHYL)-
Systematic Name English
DIHYDRO-MEPHEDRONE
Common Name English
J2.530.683J
Code English
DL-EPHEDRINE, P-METHYL-
Common Name English
BENZYL ALCOHOL, P-METHYL-.ALPHA.-(1-(METHYLAMINO)ETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
95435678
Created by admin on Sat Dec 16 11:03:43 UTC 2023 , Edited by admin on Sat Dec 16 11:03:43 UTC 2023
PRIMARY
FDA UNII
L5YAA08T2B
Created by admin on Sat Dec 16 11:03:43 UTC 2023 , Edited by admin on Sat Dec 16 11:03:43 UTC 2023
PRIMARY
CAS
27465-54-9
Created by admin on Sat Dec 16 11:03:43 UTC 2023 , Edited by admin on Sat Dec 16 11:03:43 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
122272-56-4
Created by admin on Sat Dec 16 11:03:43 UTC 2023 , Edited by admin on Sat Dec 16 11:03:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID301017089
Created by admin on Sat Dec 16 11:03:43 UTC 2023 , Edited by admin on Sat Dec 16 11:03:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN-VIVO
URINE