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Details

Stereochemistry MIXED
Molecular Formula C17H25NO2S.ClH
Molecular Weight 343.912
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOTROPINE HYDROCHLORIDE

SMILES

Cl.CCN(CC)CCOC(=O)C(C1CCC=C1)C2=CC=CS2

InChI

InChIKey=AHQNGNZKLOGVHO-UHFFFAOYSA-N
InChI=1S/C17H25NO2S.ClH/c1-3-18(4-2)11-12-20-17(19)16(14-8-5-6-9-14)15-10-7-13-21-15;/h5,7-8,10,13-14,16H,3-4,6,9,11-12H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C17H25NO2S
Molecular Weight 307.451
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 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 15:03:33 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:33 GMT 2023
Record UNII
92A7I653OC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOTROPINE HYDROCHLORIDE
Common Name English
2-THIOPHENEACETIC ACID, .ALPHA.-(2-(2-(DIETHYLAMINO)ETHYL)-2-CYCLOPENTEN-1-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
92A7I653OC
Created by admin on Fri Dec 15 15:03:33 GMT 2023 , Edited by admin on Fri Dec 15 15:03:33 GMT 2023
PRIMARY
PUBCHEM
3032007
Created by admin on Fri Dec 15 15:03:33 GMT 2023 , Edited by admin on Fri Dec 15 15:03:33 GMT 2023
PRIMARY
CAS
6018-73-1
Created by admin on Fri Dec 15 15:03:33 GMT 2023 , Edited by admin on Fri Dec 15 15:03:33 GMT 2023
PRIMARY
CAS
1414-14-8
Created by admin on Fri Dec 15 15:03:33 GMT 2023 , Edited by admin on Fri Dec 15 15:03:33 GMT 2023
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