YM-60828

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H31N5O5S.CH4O3S.2ClH
Molecular Weight	706.658
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CS(O)(=O)=O.CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(CC3=CC=C4C=CC(=CC4=C3)C(N)=N)S(=O)(=O)CC(O)=O

InChI

InChIKey=MCAHRZVEQNXURN-UHFFFAOYSA-N

InChI=1S/C27H31N5O5S.CH4O3S.2ClH/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19;1-5(2,3)4;;/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34);1H3,(H,2,3,4);2*1H

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	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C27H31N5O5S
Molecular Weight	537.631
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 `Wed Apr 02 18:19:23 GMT 2025` Edited by `admin` on `Wed Apr 02 18:19:23 GMT 2025`
Record UNII	7HC89ZWN65
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YM-60828

Code

English

YM60828

Preferred Name

English

Acetic acid, [[[[7-(aminoiminomethyl)-2-naphthalenyl]methyl][4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]amino]sulfonyl]-, dihydrochloride

Systematic Name

English

YM-60828 dihydrochloride

Common Name

English

2-[[[[7-(Aminoiminomethyl)-2-naphthalenyl]methyl][4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]amino]sulfonyl]acetic acid hydrochloride

Systematic Name

English

Acetic acid, 2-[[[[7-(aminoiminomethyl)-2-naphthalenyl]methyl][4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]amino]sulfonyl]-, hydrochloride (1:2)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80430967

Created by admin on Wed Apr 02 18:19:23 GMT 2025 , Edited by admin on Wed Apr 02 18:19:23 GMT 2025

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FDA UNII

7HC89ZWN65

Created by admin on Wed Apr 02 18:19:23 GMT 2025 , Edited by admin on Wed Apr 02 18:19:23 GMT 2025

PRIMARY

PUBCHEM

169490855

Created by admin on Wed Apr 02 18:19:23 GMT 2025 , Edited by admin on Wed Apr 02 18:19:23 GMT 2025

PRIMARY

CAS

179755-65-8

Created by admin on Wed Apr 02 18:19:23 GMT 2025 , Edited by admin on Wed Apr 02 18:19:23 GMT 2025

PRIMARY

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