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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23Cl2NO.C6H8O7
Molecular Weight 520.4
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TESOFENSINE CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC(Cl)=C(Cl)C=C3)N2C

InChI

InChIKey=ZIVJUFNVDKADJT-BEDQTAKTSA-N
InChI=1S/C17H23Cl2NO.C6H8O7/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t12-,13+,14+,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C17H23Cl2NO
Molecular Weight 328.277
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H8O7
Molecular Weight 192.1235
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 01:00:06 UTC 2023
Edited
by admin
on Sat Dec 16 01:00:06 UTC 2023
Record UNII
3R9T98ZB7U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TESOFENSINE CITRATE
MI  
Common Name English
TESOFENSINE CITRATE [MI]
Common Name English
8-AZABICYCLO(3.2.1)OCTANE, 3-(3,4-DICHLOROPHENYL)-2-(ETHOXYMETHYL)-8-METHYL-, (1R,2R,3S,5S)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
861205-83-6
Created by admin on Sat Dec 16 01:00:06 UTC 2023 , Edited by admin on Sat Dec 16 01:00:06 UTC 2023
PRIMARY
CAS
195875-86-6
Created by admin on Sat Dec 16 01:00:06 UTC 2023 , Edited by admin on Sat Dec 16 01:00:06 UTC 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
11421038
Created by admin on Sat Dec 16 01:00:06 UTC 2023 , Edited by admin on Sat Dec 16 01:00:06 UTC 2023
PRIMARY
FDA UNII
3R9T98ZB7U
Created by admin on Sat Dec 16 01:00:06 UTC 2023 , Edited by admin on Sat Dec 16 01:00:06 UTC 2023
PRIMARY
MERCK INDEX
m10592
Created by admin on Sat Dec 16 01:00:06 UTC 2023 , Edited by admin on Sat Dec 16 01:00:06 UTC 2023
PRIMARY Merck Index
DRUG BANK
DBSALT001991
Created by admin on Sat Dec 16 01:00:06 UTC 2023 , Edited by admin on Sat Dec 16 01:00:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY