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Details

Stereochemistry RACEMIC
Molecular Formula 2C17H23NO2.2ClH.H2O
Molecular Weight 637.677
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TILIDINE HYDROCHLORIDE HEMIHYDRATE

SMILES

O.Cl.Cl.CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.CCOC(=O)[C@@]3(CCC=C[C@H]3N(C)C)C4=CC=CC=C4

InChI

InChIKey=WHYVWQHDUOALSV-UMJMSJQKSA-N
InChI=1S/2C17H23NO2.2ClH.H2O/c2*1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;;;/h2*5-8,10-12,15H,4,9,13H2,1-3H3;2*1H;1H2/t2*15-,17+;;;/m11.../s1

HIDE SMILES / InChI

Molecular Formula C17H23NO2
Molecular Weight 273.37
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

Molecular Formula H2O
Molecular Weight 18.0153
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 19:04:51 UTC 2023
Edited
by admin
on Fri Dec 15 19:04:51 UTC 2023
Record UNII
Y757T3419R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TILIDINE HYDROCHLORIDE HEMIHYDRATE
EP   MI  
Common Name English
TILIDINE HYDROCHLORIDE HEMIHYDRATE [MI]
Common Name English
ETHYL (1RS,2SR)-2-(DIMETHYLAMINO)-1-PHENYLCYCLOHEX-3-ENECARBOXYLATE HYDROCHLORIDE HEMIHYDRATE
Common Name English
TILIDINE HYDROCHLORIDE HEMIHYDRATE [EP MONOGRAPH]
Common Name English
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-(DIMETHYLAMINO)-1-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, HYDRATE (2:2:1), (1R,2S)-REL-
Common Name English
VALORON
Brand Name English
LUCAYAN
Brand Name English
GO-1261C
Code English
Code System Code Type Description
FDA UNII
Y757T3419R
Created by admin on Fri Dec 15 19:04:51 UTC 2023 , Edited by admin on Fri Dec 15 19:04:51 UTC 2023
PRIMARY
PUBCHEM
69459534
Created by admin on Fri Dec 15 19:04:51 UTC 2023 , Edited by admin on Fri Dec 15 19:04:51 UTC 2023
PRIMARY
EVMPD
SUB69009
Created by admin on Fri Dec 15 19:04:51 UTC 2023 , Edited by admin on Fri Dec 15 19:04:51 UTC 2023
PRIMARY
SMS_ID
100000134951
Created by admin on Fri Dec 15 19:04:51 UTC 2023 , Edited by admin on Fri Dec 15 19:04:51 UTC 2023
PRIMARY
CAS
255733-17-6
Created by admin on Fri Dec 15 19:04:51 UTC 2023 , Edited by admin on Fri Dec 15 19:04:51 UTC 2023
PRIMARY
MERCK INDEX
m10864
Created by admin on Fri Dec 15 19:04:51 UTC 2023 , Edited by admin on Fri Dec 15 19:04:51 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID70180262
Created by admin on Fri Dec 15 19:04:51 UTC 2023 , Edited by admin on Fri Dec 15 19:04:51 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY