4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H29ClN2O2.CH4O3S
Molecular Weight	461.015
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonate

Structure Search

SMILES

CS(O)(=O)=O.CCC1=C(CCCCCCOC2=CC=C(OC)C=C2Cl)C(CC)=NN1

InChI

InChIKey=XLPNGUGQMKKKDG-UHFFFAOYSA-N

InChI=1S/C20H29ClN2O2.CH4O3S/c1-4-18-16(19(5-2)23-22-18)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21;1-5(2,3)4/h11-12,14H,4-10,13H2,1-3H3,(H,22,23);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C20H29ClN2O2
Molecular Weight	364.909
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:35:23 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:23 GMT 2025`
Record UNII	HX99TLK8DF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-357705

Preferred Name

English

4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole methanesulfonate

Systematic Name

English

1H-Pyrazole, 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-, methanesulfonate (1:1)

Systematic Name

English

1H-PYRAZOLE, 4-(6-(2-CHLORO-4-METHOXYPHENOXY)HEXYL)-3,5-DIETHYL-, MONOMETHANESULFONATE

Systematic Name

English

Win-41258-3

Code

English

Code System Code Type Description

FDA UNII

HX99TLK8DF