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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO3.ClH
Molecular Weight 275.772
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=MUFDLGGSOCHQOC-HTKOBJQYSA-N
InChI=1S/C13H21NO3.ClH/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;1H/t10-,13+;/m1./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

Molecular Formula ClH
Molecular Weight 36.461
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 Fri Dec 15 15:50:32 UTC 2023
Edited
by admin
on Fri Dec 15 15:50:32 UTC 2023
Record UNII
37SR0CHR8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOETHARINE HYDROCHLORIDE, (1S,2R)-
Common Name English
ISOETARINE HYDROCHLORIDE, (1S,2R)-
Common Name English
Code System Code Type Description
PUBCHEM
71465
Created by admin on Fri Dec 15 15:50:32 UTC 2023 , Edited by admin on Fri Dec 15 15:50:32 UTC 2023
PRIMARY
FDA UNII
37SR0CHR8L
Created by admin on Fri Dec 15 15:50:32 UTC 2023 , Edited by admin on Fri Dec 15 15:50:32 UTC 2023
PRIMARY