DS-1040 Tosylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H27N3O2.C7H8O3S
Molecular Weight	465.606
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.C[C@H]2CC[C@@H](CC2)N3C=NC(C[C@H](CCCN)C(O)=O)=C3

InChI

InChIKey=BEUWOXSXOMMLGF-HZPCBCDKSA-N

InChI=1S/C16H27N3O2.C7H8O3S/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h10-13,15H,2-9,17H2,1H3,(H,20,21);2-5H,1H3,(H,8,9,10)/t12-,13-,15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C16H27N3O2
Molecular Weight	293.4045
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C7H8O3S
Molecular Weight	172.202
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 `Mon Mar 31 23:06:04 GMT 2025` Edited by `admin` on `Mon Mar 31 23:06:04 GMT 2025`
Record UNII	X4Z6R88JRN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2S)-5-Amino-2-[[1-(trans-4-methylcyclohexyl)-1H-imidazol-4-yl]methyl]valeric acid p-toluenesulfonate

Preferred Name

English

DS-1040 Tosylate

Common Name

English

1H-IMIDAZOLE-4-PROPANOIC ACID, .ALPHA.-(3-AMINOPROPYL)-1-(TRANS-4-METHYLCYCLOHEXYL)-, (.ALPHA.S)-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

X4Z6R88JRN

Created by admin on Mon Mar 31 23:06:04 GMT 2025 , Edited by admin on Mon Mar 31 23:06:04 GMT 2025

PRIMARY

PUBCHEM

53464385

Created by admin on Mon Mar 31 23:06:04 GMT 2025 , Edited by admin on Mon Mar 31 23:06:04 GMT 2025

PRIMARY

Related Record Type Details


					5UQB96OW76

DS-1040

ACTIVE MOIETY

Amount: