E-2110

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H35N3O4.C4H4O4
Molecular Weight	605.6781
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

SMILES

OC(=O)\C=C\C(O)=O.CNC(=O)C1=CC2=C(C=CN2C3CCN(CCC4=C5OC(C)(C)CC(=O)C5=CC=C4OC)CC3)C=C1

InChI

InChIKey=MNUJXFRXXTZIIO-WLHGVMLRSA-N

InChI=1S/C29H35N3O4.C4H4O4/c1-29(2)18-25(33)22-7-8-26(35-4)23(27(22)36-29)12-15-31-13-10-21(11-14-31)32-16-9-19-5-6-20(17-24(19)32)28(34)30-3;5-3(6)1-2-4(7)8/h5-9,16-17,21H,10-15,18H2,1-4H3,(H,30,34);1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C29H35N3O4
Molecular Weight	489.6059
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	DN9H25S82Z
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

E-2110

Code

English

E2110

Preferred Name

English

FUMARIC ACID; 1-(1-(2-(7-METHOXY-2,2-DIMETHYL-4-OXO-CHROMAN-8-YL)ETHYL)-4-PIPERIDYL)-N-METHYL-INDOLE-6-CARBOXAMIDE

Systematic Name

English

1H-INDOLE-6-CARBOXAMIDE, 1-(1-(2-(3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-4-OXO-2H-1-BENZOPYRAN-8-YL)ETHYL)-4-PIPERIDINYL)-N-METHYL-, (2E)-2-BUTENEDIOATE

Systematic Name

English

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Code System

Code

Type

Description

CAS

915024-75-8

PRIMARY

FDA UNII

DN9H25S82Z

PRIMARY

PUBCHEM

16038980

PRIMARY

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Related Record

Type

Details


					K2GV9632S9

E-2110 FREE BASE

PARENT -> SALT/SOLVATE

Amount:

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Related Record

Type

Details


					K2GV9632S9

E-2110 FREE BASE

ACTIVE MOIETY

Comments:

Bottom Line: The plasma concentrations inducing 50% RO (EC50) estimated by both direct and effect compartment models were in good agreement.Dose-dependent therapeutic effects of E2110 on dysregulated micturition in different rat models of pollakiuria were also consistently explained by achievement of 5-HT1A RO by E2110 in a certain range ( 60%).Plasma drug concentrations inducing this RO range and EC50 would accordingly be objective indices in comparing pharmacokinetics-RO relationships between rats and humans.

Amount:

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