FOROPAFANT FUMARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H40N4S.C4H4O4
Molecular Weight	580.781
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CC(C)C1=CC(C(C)C)=C(C2=CSC(=N2)N(CCN(C)C)CC3=CN=CC=C3)C(=C1)C(C)C

InChI

InChIKey=VVMIAYBAROQMMT-WLHGVMLRSA-N

InChI=1S/C28H40N4S.C4H4O4/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22;5-3(6)1-2-4(7)8/h9-11,14-16,18-21H,12-13,17H2,1-8H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C28H40N4S
Molecular Weight	464.709
Charge	0
Count

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

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 15:57:19 UTC 2023` Edited by `admin` on `Fri Dec 15 15:57:19 UTC 2023`
Record UNII	77229931IM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FOROPAFANT FUMARATE

Common Name

English

SR-27417A

Code

English

1,2-ETHANEDIAMINE, N1,N1-DIMETHYL-N2-(3-PYRIDINYLMETHYL)-N2-(4-(2,4,6-TRIS(1-METHYLETHYL)PHENYL)-2-THIAZOLYL)-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9938199

Created by admin on Fri Dec 15 15:57:19 UTC 2023 , Edited by admin on Fri Dec 15 15:57:19 UTC 2023

PRIMARY

FDA UNII

77229931IM

Created by admin on Fri Dec 15 15:57:19 UTC 2023 , Edited by admin on Fri Dec 15 15:57:19 UTC 2023

PRIMARY

CAS

136470-45-6

Created by admin on Fri Dec 15 15:57:19 UTC 2023 , Edited by admin on Fri Dec 15 15:57:19 UTC 2023

PRIMARY

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