KUKOAMINE B DIMESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H42N4O6.2CH4O3S
Molecular Weight	722.868
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.NCCCN(CCCCNCCCNC(=O)CCC1=CC(O)=C(O)C=C1)C(=O)CCC2=CC(O)=C(O)C=C2

InChI

InChIKey=APBBXPYJYVBOPN-UHFFFAOYSA-N

InChI=1S/C28H42N4O6.2CH4O3S/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21;2*1-5(2,3)4/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37);2*1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C28H42N4O6
Molecular Weight	530.6563
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

Targets

Primary Target	Pharmacology	Condition	Potency
Lipopolysaccharide 2 Target ID: CHEMBL614639 Sources: https://adisinsight.springer.com/drugs/800041172\|https://www.ncbi.nlm.nih.gov/pubmed/27542278\|https://www.ncbi.nlm.nih.gov/pubmed/25667619\|https://www.ncbi.nlm.nih.gov/pubmed/21108626	Inhibitor 8297
Oxidative Stress 160 Target ID: WP408 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26164594\|https://www.ncbi.nlm.nih.gov/pubmed/26065936	Inhibitor 8297
DNA 278 Target ID: CHEMBL2364041 Sources: https://adisinsight.springer.com/drugs/800041172\|https://www.ncbi.nlm.nih.gov/pubmed/21073991	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:03:39 GMT 2023` Edited by `admin` on `Sat Dec 16 19:03:39 GMT 2023`
Record UNII	MG42TS6379
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KUKOAMINE B DIMESYLATE

Common Name

English

BENZENEPROPANAMIDE, N-(3-AMINOPROPYL)-N-(4-((3-((3-(3,4-DIHYDROXYPHENYL)-1-OXOPROPYL)AMINO)PROPYL)AMINO)BUTYL)-3,4-DIHYDROXY-, COMPD. WITH METHANESULFONATE (1:2)

Systematic Name

English

Code System Code Type Description

CAS

2036312-48-6

Created by admin on Sat Dec 16 19:03:39 GMT 2023 , Edited by admin on Sat Dec 16 19:03:39 GMT 2023

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PUBCHEM

156613948

Created by admin on Sat Dec 16 19:03:39 GMT 2023 , Edited by admin on Sat Dec 16 19:03:39 GMT 2023

PRIMARY

FDA UNII

MG42TS6379

Created by admin on Sat Dec 16 19:03:39 GMT 2023 , Edited by admin on Sat Dec 16 19:03:39 GMT 2023

PRIMARY

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