NAS-181

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26N2O4.CH4O3S
Molecular Weight	442.526
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.C(OC1=C2OCC(CN3CCOCC3)=CC2=CC=C1)[C@H]4CNCCO4

InChI

InChIKey=JDFGAOJLDPTWBF-UNTBIKODSA-N

InChI=1S/C19H26N2O4.CH4O3S/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17;1-5(2,3)4/h1-3,10,17,20H,4-9,11-14H2;1H3,(H,2,3,4)/t17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C19H26N2O4
Molecular Weight	346.4207
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	( + )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
5-hydroxytryptamine receptor 1B 21 Target ID: P28564 Gene ID: 25075.0 Gene Symbol: Htr1b Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9599242	Antagonist 2778		47.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:09:20 GMT 2023` Edited by `admin` on `Sat Dec 16 08:09:20 GMT 2023`
Record UNII	FU2LC28NCH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NAS-181

Code

English

MORPHOLINE, 2-(((3-(4-MORPHOLINYLMETHYL)-2H-1-BENZOPYRAN-8-YL)OXY)METHYL)-, (2R)-, MONOMETHANESULFONATE

Systematic Name

English

4-((8-(((2R)-MORPHOLIN-2-YL)METHOXY)-2H-CHROMEN-3-YL)METHYL)MORPHOLINE; METHANESULFONIC ACID

Systematic Name

English

MORPHOLINE, 2-(((3-(4-MORPHOLINYLMETHYL)-2H-1-BENZOPYRAN-8-YL)OXY)METHYL)-, (2R)-, METHANESULFONATE (1:1)

Systematic Name

English

NAS181

Code

English

Code System Code Type Description

FDA UNII

FU2LC28NCH

Created by admin on Sat Dec 16 08:09:20 GMT 2023 , Edited by admin on Sat Dec 16 08:09:20 GMT 2023

PRIMARY

CAS

205242-62-2

Created by admin on Sat Dec 16 08:09:20 GMT 2023 , Edited by admin on Sat Dec 16 08:09:20 GMT 2023

PRIMARY

EPA CompTox

DTXSID40662762

Created by admin on Sat Dec 16 08:09:20 GMT 2023 , Edited by admin on Sat Dec 16 08:09:20 GMT 2023

PRIMARY

PUBCHEM

9955014

Created by admin on Sat Dec 16 08:09:20 GMT 2023 , Edited by admin on Sat Dec 16 08:09:20 GMT 2023

PRIMARY

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