ENTACAPONE, (Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H15N3O5
Molecular Weight	305.286
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)C(=O)C(=C/C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N

InChI

InChIKey=JRURYQJSLYLRLN-YHYXMXQVSA-N

InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5-

HIDE SMILES / InChI

Molecular Formula	C14H15N3O5
Molecular Weight	305.286
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 17:23:57 UTC 2023` Edited by `admin` on `Fri Dec 15 17:23:57 UTC 2023`
Record UNII	4X96VV9HUQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENTACAPONE, (Z)-

Common Name

English

(Z)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N,N-DIETHYL-2-PROPENAMIDE

Systematic Name

English

ENTACAPONE RELATED COMPOUND A

Common Name

English

ENTACAPONE IMPURITY A [EP IMPURITY]

Common Name

English

2-PROPENAMIDE, 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N,N-DIETHYL-, (Z)-

Systematic Name

English

ENTACAPONE RELATED COMPOUND A [USP-RS]

Common Name

English

(Z)-ENTACAPONE

Common Name

English

(2Z)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-N,N-DIETHYLPROP-2-ENAMIDE

Systematic Name

English

ENTACAPONE RELATED COMPOUND A [USP IMPURITY]

Common Name

English

Code System Code Type Description

RS_ITEM_NUM

1235944

Created by admin on Fri Dec 15 17:23:57 UTC 2023 , Edited by admin on Fri Dec 15 17:23:57 UTC 2023

PRIMARY

PUBCHEM

21864625

Created by admin on Fri Dec 15 17:23:57 UTC 2023 , Edited by admin on Fri Dec 15 17:23:57 UTC 2023

PRIMARY

FDA UNII

4X96VV9HUQ

Created by admin on Fri Dec 15 17:23:57 UTC 2023 , Edited by admin on Fri Dec 15 17:23:57 UTC 2023

PRIMARY

CAS

145195-63-7

Created by admin on Fri Dec 15 17:23:57 UTC 2023 , Edited by admin on Fri Dec 15 17:23:57 UTC 2023

PRIMARY

Related Record Type Details


					4975G9NM6T

ENTACAPONE

PARENT -> METABOLITE

Comments:

Active in vitro,but contribution should be little due to low plasma level

Qualification:

PLASMA

Related Record Type Details


					4975G9NM6T

ENTACAPONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: