DI(DEMETHYL)-DI(HYDROXYMETHYL)DPA-714

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H27FN4O4
Molecular Weight	430.4726
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DI(DEMETHYL)-DI(HYDROXYMETHYL)DPA-714

Structure Search

SMILES

CCN(CC)C(=O)CC1=C2N=C(CO)C=C(CO)N2N=C1C3=CC=C(OCCF)C=C3

InChI

InChIKey=LHPXGUQPDQIIDB-UHFFFAOYSA-N

InChI=1S/C22H27FN4O4/c1-3-26(4-2)20(30)12-19-21(15-5-7-18(8-6-15)31-10-9-23)25-27-17(14-29)11-16(13-28)24-22(19)27/h5-8,11,28-29H,3-4,9-10,12-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C22H27FN4O4
Molecular Weight	430.4726
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:10:16 GMT 2023` Edited by `admin` on `Sat Dec 16 16:10:16 GMT 2023`
Record UNII	19B0IPR8JA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DI(DEMETHYL)-DI(HYDROXYMETHYL)DPA-714

Common Name

English

N,N-DIETHYL-2-(4-(2-FLUOROETHOXY)PHENYL)-5,7-BIS(HYDROXYMETHYL)PYRAZOLO(1,5-A)PYRIMIDINE-3-ACETAMIDE

Systematic Name

English

PYRAZOLO(1,5-A)PYRIMIDINE-3-ACETAMIDE, N,N-DIETHYL-2-(4-(2-FLUOROETHOXY)PHENYL)-5,7-BIS(HYDROXYMETHYL)-

Systematic Name

English

DPA-714 METABOLITE M6A

Common Name

English

Code System Code Type Description

FDA UNII

19B0IPR8JA

Created by admin on Sat Dec 16 16:10:16 GMT 2023 , Edited by admin on Sat Dec 16 16:10:16 GMT 2023

PRIMARY

PUBCHEM

118753119

Created by admin on Sat Dec 16 16:10:16 GMT 2023 , Edited by admin on Sat Dec 16 16:10:16 GMT 2023

PRIMARY

CAS

1619223-86-7

Created by admin on Sat Dec 16 16:10:16 GMT 2023 , Edited by admin on Sat Dec 16 16:10:16 GMT 2023

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Related Record Type Details


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DPA-714

PARENT -> METABOLITE

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