7-(2-(BENZYL-(2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)AMINO)ETHYL)-1,3-DIMETHYLPURINE-2,6-DIONE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H25N5O5.ClH
Molecular Weight	499.947
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-(2-(BENZYL-(2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)AMINO)ETHYL)-1,3-DIMETHYLPURINE-2,6-DIONE HYDROCHLORIDE

Structure Search

SMILES

Cl.CN1C2=C(N(CCN(CC(=O)C3=CC=C(O)C(O)=C3)CC4=CC=CC=C4)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=MMEIKUJPOXZQFE-UHFFFAOYSA-N

InChI=1S/C24H25N5O5.ClH/c1-26-22-21(23(33)27(2)24(26)34)29(15-25-22)11-10-28(13-16-6-4-3-5-7-16)14-20(32)17-8-9-18(30)19(31)12-17;/h3-9,12,15,30-31H,10-11,13-14H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula	C24H25N5O5
Molecular Weight	463.4858
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 12:16:45 GMT 2023` Edited by `admin` on `Sat Dec 16 12:16:45 GMT 2023`
Record UNII	X98C88G2J7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-(2-(BENZYL-(2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)AMINO)ETHYL)-1,3-DIMETHYLPURINE-2,6-DIONE HYDROCHLORIDE

Systematic Name

English

1H-PURINE-2,6-DIONE, 7-(2-((2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)(PHENYLMETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

1H-PURINE-2,6-DIONE, 7-(2-((2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)(PHENYLMETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-, MONOHYDROCHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

X98C88G2J7