XANTINOL NICOTINATE, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H21N5O4.C6H5NO2
Molecular Weight	434.4463
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CN=CC=C1.CN(CCO)C[C@@H](O)CN2C=NC3=C2C(=O)N(C)C(=O)N3C

InChI

InChIKey=GEPMAHVDJHFBJI-SBSPUUFOSA-N

InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)/t9-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C13H21N5O4
Molecular Weight	311.3369
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H5NO2
Molecular Weight	123.1094
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 10:36:51 GMT 2023` Edited by `admin` on `Sat Dec 16 10:36:51 GMT 2023`
Record UNII	392I8XB05H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XANTINOL NICOTINATE, (R)-

Common Name

English

(R)-(-)-XANTHINOL NICOTINATE (1:1)

Common Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(2-HYDROXY-3-((2-HYDROXYETHYL)METHYLAMINO)PROPYL)-1,3-DIMETHYL-, (R)-, MONO-3-PYRIDINECARBOXYLATE (SALT)

Systematic Name

English

3-PYRIDINECARBOXYLIC ACID, COMPD. WITH (R)-3,7-DIHYDRO-7-(2-HYDROXY-3-((2-HYDROXYETHYL)METHYLAMINO)PROPYL)-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

13626940

Created by admin on Sat Dec 16 10:36:51 GMT 2023 , Edited by admin on Sat Dec 16 10:36:51 GMT 2023

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CAS

108643-57-8

Created by admin on Sat Dec 16 10:36:51 GMT 2023 , Edited by admin on Sat Dec 16 10:36:51 GMT 2023

PRIMARY

FDA UNII

392I8XB05H

Created by admin on Sat Dec 16 10:36:51 GMT 2023 , Edited by admin on Sat Dec 16 10:36:51 GMT 2023

PRIMARY

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