NW-1772

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H16ClNO3.CH4O3S
Molecular Weight	425.883
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CNCC1=CC(=O)OC2=CC(OCC3=CC=CC(Cl)=C3)=CC=C12

InChI

InChIKey=ZNILTQJFNAYPDD-UHFFFAOYSA-N

InChI=1S/C18H16ClNO3.CH4O3S/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12;1-5(2,3)4/h2-9,20H,10-11H2,1H3;1H3,(H,2,3,4)

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	C18H16ClNO3
Molecular Weight	329.778
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 08:37:37 GMT 2023` Edited by `admin` on `Sat Dec 16 08:37:37 GMT 2023`
Record UNII	YA7WAZ3692
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NW-1772

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 7-((3-CHLOROPHENYL)METHOXY)-4-((METHYLAMINO)METHYL)-, METHANESULFONATE

Systematic Name

English

7-((3-CHLOROPHENYL)METHOXY)-4-((METHYLAMINO)METHYL)-2H-CHROMEN-2-ONE; METHANESULFONIC ACID

Systematic Name

English

4-((METHYLAMINO)METHYL)-7-((3-CHLOROBENZYL)OXY)-2H-CHROMEN-2-ONE METHANESULFONATE

Systematic Name

English

NW1772

Code

English

2H-1-BENZOPYRAN-2-ONE, 7-((3-CHLOROPHENYL)METHOXY)-4-((METHYLAMINO)METHYL)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

YA7WAZ3692

Created by admin on Sat Dec 16 08:37:37 GMT 2023 , Edited by admin on Sat Dec 16 08:37:37 GMT 2023

PRIMARY

PUBCHEM

23657438

Created by admin on Sat Dec 16 08:37:37 GMT 2023 , Edited by admin on Sat Dec 16 08:37:37 GMT 2023

PRIMARY

CAS

911290-35-2

Created by admin on Sat Dec 16 08:37:37 GMT 2023 , Edited by admin on Sat Dec 16 08:37:37 GMT 2023

PRIMARY

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