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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2O
Molecular Weight 256.3428
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-AMINOPHENETHYL)AMINO)-1-PHENYLETHANOL, (R)-

SMILES

NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1

InChI

InChIKey=TUAHDMSPHZSMQN-INIZCTEOSA-N
InChI=1S/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20N2O
Molecular Weight 256.3428
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:38:57 GMT 2023
Edited
by admin
on Sat Dec 16 09:38:57 GMT 2023
Record UNII
16J30IOW0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-AMINOPHENETHYL)AMINO)-1-PHENYLETHANOL, (R)-
Systematic Name English
MIRABEGRON (M16)
Common Name English
BENZENEMETHANOL, .ALPHA.-(((2-(4-AMINOPHENYL)ETHYL)AMINO)METHYL)-, (.ALPHA.R)-
Systematic Name English
YM-208876
Code English
Code System Code Type Description
CAS
391901-45-4
Created by admin on Sat Dec 16 09:38:57 GMT 2023 , Edited by admin on Sat Dec 16 09:38:57 GMT 2023
PRIMARY
FDA UNII
16J30IOW0V
Created by admin on Sat Dec 16 09:38:57 GMT 2023 , Edited by admin on Sat Dec 16 09:38:57 GMT 2023
PRIMARY
PUBCHEM
52953008
Created by admin on Sat Dec 16 09:38:57 GMT 2023 , Edited by admin on Sat Dec 16 09:38:57 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
PLASMA