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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO3
Molecular Weight 239.3107
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=HUYWAWARQUIQLE-GXFFZTMASA-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

Approval Year

Unknown
139594
Name Type Language
ISOETHARINE, (1R,2S)-
Common Name English
BENZYL ALCOHOL, 3,4-DIHYDROXY-.ALPHA.-(1-(ISOPROPYLAMINO)PROPYL)-, (-)-
Common Name English
1,2-BENZENEDIOL, 4-(1-HYDROXY-2-((1-METHYLETHYL)AMINO)BUTYL)-, (R-(R*,S*))-
Systematic Name English
Code System Code Type Description
PUBCHEM
6604119
Created by admin on Sat Dec 16 13:48:25 GMT 2023 , Edited by admin on Sat Dec 16 13:48:25 GMT 2023
PRIMARY
FDA UNII
UBG54Q2CVT
Created by admin on Sat Dec 16 13:48:25 GMT 2023 , Edited by admin on Sat Dec 16 13:48:25 GMT 2023
PRIMARY
CAS
21830-16-0
Created by admin on Sat Dec 16 13:48:25 GMT 2023 , Edited by admin on Sat Dec 16 13:48:25 GMT 2023
PRIMARY
NIH
NCATS
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