L-371,257

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H33N3O6
Molecular Weight	507.5781
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(OC2CCN(CC2)C(C)=O)=CC=C1C(=O)N3CCC(CC3)N4C(=O)OCC5=CC=CC=C45

InChI

InChIKey=WDERJSQJYIJOPD-UHFFFAOYSA-N

InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C28H33N3O6
Molecular Weight	507.5781
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Oxytocin receptor 19 Target ID: CHEMBL2049 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7473590	Antagonist 2778	4.6 nM [Ki]
Vasopressin V1a receptor 17 Target ID: CHEMBL1889 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7473590	Binding Agent 1064	3.2 µM [Ki]
Vasopressin V2 receptor 15 Target ID: CHEMBL1790 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7473590	Binding Agent 1064	37.0 µM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:31:25 GMT 2023` Edited by `admin` on `Sat Dec 16 15:31:25 GMT 2023`
Record UNII	98KJ8P9APP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-371,257

Code

English

2H-3,1-Benzoxazin-2-one, 1-[1-[4-[(1-acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-piperidinyl]-1,4-dihydro-

Systematic Name

English

1-(1-(4-(1-ETHANOYLPIPERIDIN-4-YL)OXY-2-METHOXY-PHENYL)CARBONYLPIPERIDIN-4-YL)-4H-3,1-BENZOXAZIN-2-ONE

Systematic Name

English

Piperidine, 1-[4-[(1-acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-

Systematic Name

English

L371257

Code

English

L-371257

Code

English

Code System Code Type Description

EPA CompTox

DTXSID30426072