ROCASTINE FUMARATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H19N3OS.C4H4O4
Molecular Weight	381.447
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN(C)CCC1CN(C)C(=S)C2=CC=CN=C2O1

InChI

InChIKey=LZFCSDIBLCSFAK-WLHGVMLRSA-N

InChI=1S/C13H19N3OS.C4H4O4/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;5-3(6)1-2-4(7)8/h4-5,7,10H,6,8-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ROCASTINE FUMARATE

Common Name

English

PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, (E)-2-BUTENEDIOATE

Systematic Name

English

PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, (2E)-2-BUTENEDIOATE

Systematic Name

English

AHR-11325

Code

English

PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

91833-50-0

Created by admin on Sat Dec 16 10:14:55 UTC 2023 , Edited by admin on Sat Dec 16 10:14:55 UTC 2023

PRIMARY

PUBCHEM

6917885

Created by admin on Sat Dec 16 10:14:55 UTC 2023 , Edited by admin on Sat Dec 16 10:14:55 UTC 2023

PRIMARY

CAS

1156096-60-4

Created by admin on Sat Dec 16 10:14:55 UTC 2023 , Edited by admin on Sat Dec 16 10:14:55 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

K0F56K7CMZ

Created by admin on Sat Dec 16 10:14:55 UTC 2023 , Edited by admin on Sat Dec 16 10:14:55 UTC 2023

PRIMARY

PARENT (SALT/SOLVATE)


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ROCASTINE

SUBSTANCE RECORD


					K0F56K7CMZ

ROCASTINE FUMARATE