TESOFENSINE TARTRATE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H23Cl2NO.C4H6O6.H2O
Molecular Weight	496.379
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TESOFENSINE TARTRATE MONOHYDRATE

Structure Search

SMILES

O.O[C@H]([C@@H](O)C(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=MLBOTABDHOAIGP-ZUVYWPKOSA-N

InChI=1S/C17H23Cl2NO.C4H6O6.H2O/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11;5-1(3(7)8)2(6)4(9)10;/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);1H2/t12-,13+,14+,17+;1-,2-;/m01./s1

HIDE SMILES / InChI

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

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:03 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:03 UTC 2023`
Record UNII	1HJG8C744G
Record Status	`Validated (UNII)`
Record Version