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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16NO3.Cl
Molecular Weight 221.681
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OTHONECINE CHLORIDE

SMILES

[Cl-].C[N@+]12CC[C@@H](O)[C@@]1(O)C(CO)=CC2

InChI

InChIKey=OOKWCHLTNRMNCY-RDTSDOJCSA-M
InChI=1S/C9H16NO3.ClH/c1-10-4-2-7(6-11)9(10,13)8(12)3-5-10;/h2,8,11-13H,3-6H2,1H3;1H/q+1;/p-1/t8-,9+,10+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C9H15NO3
Molecular Weight 185.2203
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
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 Sat Dec 16 10:22:20 GMT 2023
Edited
by admin
on Sat Dec 16 10:22:20 GMT 2023
Record UNII
149GR0MR0Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OTHONECINE CHLORIDE
Common Name English
1H-PYRROLIZINIUM, 2,3,5,7A-TETRAHYDRO-1,7A-DIHYDROXY-7-(HYDROXYMETHYL)-4-METHYL-, CHLORIDE, (1R-(1.ALPHA.,4.BETA.,7A.BETA.))-
Systematic Name English
1H-PYRROLIZINIUM, 2,3-DIHYDRO-1,7A-DIHYDROXY-7-(HYDROXYMETHYL)-4-METHYL-, CHLORIDE (1:1), (1R,4R,7AS)-
Systematic Name English
OTONECINE, CHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
149GR0MR0Y
Created by admin on Sat Dec 16 10:22:20 GMT 2023 , Edited by admin on Sat Dec 16 10:22:20 GMT 2023
PRIMARY
PUBCHEM
109374176
Created by admin on Sat Dec 16 10:22:20 GMT 2023 , Edited by admin on Sat Dec 16 10:22:20 GMT 2023
PRIMARY
CAS
7201-79-8
Created by admin on Sat Dec 16 10:22:20 GMT 2023 , Edited by admin on Sat Dec 16 10:22:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE