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Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO3
Molecular Weight 239.3107
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOETHARINE, (1R,2R)-(±)-

SMILES

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

InChI

InChIKey=HUYWAWARQUIQLE-GWCFXTLKSA-N
InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3/t10-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H21NO3
Molecular Weight 239.3107
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 Wed Apr 02 10:41:21 GMT 2025
Edited
by admin
on Wed Apr 02 10:41:21 GMT 2025
Record UNII
DT6P9Y45WD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-BENZENEDIOL, 4-((1R,2R)-1-HYDROXY-2-((1-METHYLETHYL)AMINO)BUTYL)-, REL-
Preferred Name English
ISOETHARINE, (1R,2R)-(±)-
Common Name English
1,2-BENZENEDIOL, 4-(1-HYDROXY-2-((1-METHYLETHYL)AMINO)BUTYL)-, (R*,R*)-(±)-
Systematic Name English
REL-4-((1R,2R)-1-HYDROXY-2-((1-METHYLETHYL)AMINO)BUTYL)-1,2-BENZENEDIOL
Systematic Name English
Code System Code Type Description
FDA UNII
DT6P9Y45WD
Created by admin on Wed Apr 02 10:41:21 GMT 2025 , Edited by admin on Wed Apr 02 10:41:21 GMT 2025
PRIMARY
CAS
63199-66-6
Created by admin on Wed Apr 02 10:41:21 GMT 2025 , Edited by admin on Wed Apr 02 10:41:21 GMT 2025
PRIMARY
PUBCHEM
51371466
Created by admin on Wed Apr 02 10:41:21 GMT 2025 , Edited by admin on Wed Apr 02 10:41:21 GMT 2025
PRIMARY