U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34ClN3S2.ClH
Molecular Weight 464.559
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRODAT 1

SMILES

Cl.CN1[C@H]2CC[C@@H]1[C@@H](CN(CCS)CCNCCS)[C@H](C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=HZDNFBVWGKDFIP-GCMGGMMESA-N
InChI=1S/C21H34ClN3S2.ClH/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;/h2-5,18-21,23,26-27H,6-15H2,1H3;1H/t18-,19+,20-,21+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C21H34ClN3S2
Molecular Weight 428.098
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
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

Tropantiol is a chelating agent. It was used in diagnosis or exclusion of Parkinsonian syndrome with or without dopaminergic deficit.

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Wed Apr 02 01:33:13 GMT 2025
Edited
by admin
on Wed Apr 02 01:33:13 GMT 2025
Record UNII
DLK3EG08UH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRODAT 1
Common Name English
ETHANETHIOL, 2-((2-((((1R,2R,3S,5S)-3-(4-CHLOROPHENYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-2-YL)METHYL)(2-MERCAPTOETHYL)AMINO)ETHYL)AMINO)-, HYDROCHLORIDE (1:1)
Preferred Name English
Code System Code Type Description
CAS
675825-78-2
Created by admin on Wed Apr 02 01:33:13 GMT 2025 , Edited by admin on Wed Apr 02 01:33:13 GMT 2025
PRIMARY
FDA UNII
DLK3EG08UH
Created by admin on Wed Apr 02 01:33:13 GMT 2025 , Edited by admin on Wed Apr 02 01:33:13 GMT 2025
PRIMARY
PUBCHEM
16752681
Created by admin on Wed Apr 02 01:33:13 GMT 2025 , Edited by admin on Wed Apr 02 01:33:13 GMT 2025
PRIMARY