SEMOTIADIL FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H32N2O6S.C4H4O4
Molecular Weight	652.711
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC=C(OCCCN(C)CCOC2=CC=C3OCOC3=C2)C(=C1)[C@H]4SC5=CC=CC=C5N(C)C4=O

InChI

InChIKey=DIEJEELGDWGUCV-CNTJLTAHSA-N

InChI=1S/C29H32N2O6S.C4H4O4/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28;5-3(6)1-2-4(7)8/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t28-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C29H32N2O6S
Molecular Weight	536.639
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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 `Fri Dec 15 18:07:35 UTC 2023` Edited by `admin` on `Fri Dec 15 18:07:35 UTC 2023`
Record UNII	48E2Q389VX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SEMOTIADIL FUMARATE

Common Name

English

2H-1,4-BENZOTHIAZIN-3(4H)-ONE, 2-(2-(3-((2-(1,3-BENZODIOXOL-5-YLOXY)ETHYL)METHYLAMINO)PROPOXY)-5-METHOXYPHENYL)-4-METHYL-, (R)-, (E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

2H-1,4-BENZOTHIAZIN-3(4H)-ONE, 2-(2-(3-((2-(1,3-BENZODIOXOL-5-YLOXY)ETHYL)METHYLAMINO)PROPOXY)-5-METHOXYPHENYL)-4-METHYL-, (2R)-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

SEMOTIADIL FUMARATE [JAN]

Common Name

English

SD-3211

Code

English

SD3211

Code

English

SESAMODIL FUMARATE

Common Name

English

SEMOTIADIL FUMARATE [MI]

Common Name

English

Code System Code Type Description

CAS

116476-14-3