TA-993 MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N2O3S.C4H4O4
Molecular Weight	528.617
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CCN1C2=C(S[C@@H]([C@H](OC(C)=O)C1=O)C3=CC=C(C)C=C3)C=C(C)C=C2

InChI

InChIKey=KILCEIIRMKHOSB-IVANRGOOSA-N

InChI=1S/C23H28N2O3S.C4H4O4/c1-15-6-9-18(10-7-15)22-21(28-17(3)26)23(27)25(13-12-24(4)5)19-11-8-16(2)14-20(19)29-22;5-3(6)1-2-4(7)8/h6-11,14,21-22H,12-13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t21-,22+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H28N2O3S
Molecular Weight	412.545
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	( - )

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:12:05 GMT 2023` Edited by `admin` on `Sat Dec 16 09:12:05 GMT 2023`
Record UNII	EJG3TZJ7B9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TA-993 MALEATE

Common Name

English

(-)-(2R,3R)-3-ACETOXY-5-(2-(DIMETHYLAMINO)ETHYL)-8-METHYL-2-(4-METHYLPHENYL)-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-4-ONE MALEATE

Systematic Name

English

1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-8-METHYL-2-(4-METHYLPHENYL)-, (2R-CIS)-, (Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-8-METHYL-2-(4-METHYLPHENYL)-, (2R,3R)-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

EJG3TZJ7B9

Created by admin on Sat Dec 16 09:12:05 GMT 2023 , Edited by admin on Sat Dec 16 09:12:05 GMT 2023

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CAS

150591-06-3

Created by admin on Sat Dec 16 09:12:05 GMT 2023 , Edited by admin on Sat Dec 16 09:12:05 GMT 2023

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PUBCHEM

66831814

Created by admin on Sat Dec 16 09:12:05 GMT 2023 , Edited by admin on Sat Dec 16 09:12:05 GMT 2023

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