BAY65-1942

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25N3O4.ClH
Molecular Weight	431.913
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@]1(CCCNC1)C2=C3COC(=O)NC3=NC(=C2)C4=C(OCC5CC5)C=CC=C4O

InChI

InChIKey=XZTOAEZYOFWVHB-PFEQFJNWSA-N

InChI=1S/C22H25N3O4.ClH/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17;/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27);1H/t14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C22H25N3O4
Molecular Weight	395.4516
Charge	0
Count

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

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 18:18:49 UTC 2023` Edited by `admin` on `Sat Dec 16 18:18:49 UTC 2023`
Record UNII	2LM458LV8E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAY65-1942

Code

English

7-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]-5-[(3S)-3-piperidinyl]-1,4-dihydro-2H-pyrido[2,3-d][1,3]oxazin-2-one hydrochloride

Systematic Name

English

2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-(3S)-3-piperidinyl-, monohydrochloride

Systematic Name

English

2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1,4-dihydro-5-[(3S)-3-piperidinyl]-, hydrochloride (1:1)

Systematic Name

English

(S)-7-(2-(Cyclopropylmethoxy)-6-hydroxyphenyl)-5-(piperidin-3-yl)-1H-pyrido[2,3-d][1,3]oxazin-2(4H)-one hydrochloride

Systematic Name

English

Code System Code Type Description

CAS

600734-06-3

Created by admin on Sat Dec 16 18:18:50 UTC 2023 , Edited by admin on Sat Dec 16 18:18:50 UTC 2023

PRIMARY

PUBCHEM

135454903

Created by admin on Sat Dec 16 18:18:50 UTC 2023 , Edited by admin on Sat Dec 16 18:18:50 UTC 2023

PRIMARY

FDA UNII

2LM458LV8E

Created by admin on Sat Dec 16 18:18:50 UTC 2023 , Edited by admin on Sat Dec 16 18:18:50 UTC 2023

PRIMARY

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BAY65-1942 FREE BASE

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