DABELOTINE MESYLATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22N2O2.CH4O3S
Molecular Weight	358.453
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CN1CCCC2=C1C(OC[C@@H]3CNCCO3)=CC=C2

InChI

InChIKey=RSEKRLGWBUABQM-ZOWNYOTGSA-N

InChI=1S/C15H22N2O2.CH4O3S/c1-17-8-3-5-12-4-2-6-14(15(12)17)19-11-13-10-16-7-9-18-13;1-5(2,3)4/h2,4,6,13,16H,3,5,7-11H2,1H3;1H3,(H,2,3,4)/t13-;/m0./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	C15H22N2O2
Molecular Weight	262.3474
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:13:04 UTC 2023` Edited by `admin` on `Sat Dec 16 11:13:04 UTC 2023`
Record UNII	596JG0W99X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DABELOTINE MESYLATE, (S)-

Common Name

English

QUINOLINE, 1,2,3,4-TETRAHYDRO-1-METHYL-8-((2S)-2-MORPHOLINYLMETHOXY)-, MONOMETHANESULFONATE, (S)-

Systematic Name

English

(+)-(S)-S-12024

Code

English

S-12024

Code

English

Code System Code Type Description

FDA UNII

596JG0W99X

Created by admin on Sat Dec 16 11:13:04 UTC 2023 , Edited by admin on Sat Dec 16 11:13:04 UTC 2023

PRIMARY

PUBCHEM

132958

Created by admin on Sat Dec 16 11:13:04 UTC 2023 , Edited by admin on Sat Dec 16 11:13:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID30934642

Created by admin on Sat Dec 16 11:13:04 UTC 2023 , Edited by admin on Sat Dec 16 11:13:04 UTC 2023

PRIMARY

CAS

152985-36-9

Created by admin on Sat Dec 16 11:13:04 UTC 2023 , Edited by admin on Sat Dec 16 11:13:04 UTC 2023

PRIMARY

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DABELOTINE

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