DOFEQUIDAR FUMARATE

Details

Stereochemistry	RACEMIC
Molecular Formula	2C30H31N3O3.3C4H4O4
Molecular Weight	1311.3874
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(COC1=C2C=CC=NC2=CC=C1)CN3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.OC(COC6=C7C=CC=NC7=CC=C6)CN8CCN(CC8)C(=O)C(C9=CC=CC=C9)C%10=CC=CC=C%10

InChI

InChIKey=ZGMJYTYLTJFNCS-VQYXCCSOSA-N

InChI=1S/2C30H31N3O3.3C4H4O4/c2*34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24;3*5-3(6)1-2-4(7)8/h2*1-16,25,29,34H,17-22H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

HIDE SMILES / InChI

Molecular Formula	C30H31N3O3
Molecular Weight	481.5854
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
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 08:29:22 UTC 2023` Edited by `admin` on `Sat Dec 16 08:29:22 UTC 2023`
Record UNII	3DM793MFSE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOFEQUIDAR FUMARATE

Common Name

English

4-(DIPHENYLACETYL)-ALPHA-((5-QUINOLINYLOXY)METHYL)-1-PIPERAZINEETHANOL (E)-2-BUTENEDIOATE (2:3) (SALT)

Systematic Name

English

MS-209

Code

English

1-PIPERAZINEETHANOL, 4-(DIPHENYLACETYL)-ALPHA-((5-QUINOLINYLOXY)METHYL)-, (E)-2-BUTENEDIOATE (2:3) (SALT)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1744