ANTHALLAN HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H25NO5.ClH
Molecular Weight	359.845
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCCCN(CCCC)CC1OC(=O)C2=C1C(O)=C(O)C(O)=C2

InChI

InChIKey=AFDNCGALNDJAQN-UHFFFAOYSA-N

InChI=1S/C17H25NO5.ClH/c1-3-5-7-18(8-6-4-2)10-13-14-11(17(22)23-13)9-12(19)15(20)16(14)21;/h9,13,19-21H,3-8,10H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula	C17H25NO5
Molecular Weight	323.3841
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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

Approval Year

Sourcing

Vendor/Aggregator	ID	URL
ABI Chem	AC1L2K2Q
BOC Sciences	520-47-8
NovoSeek	22272
THE BioTek	bt-433694	https://www.thebiotek.com/product/others/bt-433694
ZINC	ZINC000005513677	http://zinc15.docking.org/substances/ZINC000005513677
ZINC	ZINC000005513687	http://zinc15.docking.org/substances/ZINC000005513687

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:24:01 GMT 2023` Edited by `admin` on `Fri Dec 15 17:24:01 GMT 2023`
Record UNII	3RA573T8UE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANTHALLAN HYDROCHLORIDE

Common Name

English

3-DIBUTYLAMINOMETHYL-4,5,6-TRIHYDROXYPHTHALIDE HYDROCHLORIDE

Systematic Name

English

PHTHALIDE, 3-((DIBUTYLAMINO)METHYL)-4,5,6-TRIHYDROXY-, HYDROCHLORIDE

Systematic Name

English

ANTHALLAN HCL

Common Name

English

1(3H)-ISOBENZOFURANONE, 3-((DIBUTYLAMINO)METHYL)-4,5,6-TRIHYDROXY-, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

22271

Created by admin on Fri Dec 15 17:24:01 GMT 2023 , Edited by admin on Fri Dec 15 17:24:01 GMT 2023

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EPA CompTox

DTXSID80975080

Created by admin on Fri Dec 15 17:24:01 GMT 2023 , Edited by admin on Fri Dec 15 17:24:01 GMT 2023

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FDA UNII

3RA573T8UE

Created by admin on Fri Dec 15 17:24:01 GMT 2023 , Edited by admin on Fri Dec 15 17:24:01 GMT 2023

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CAS

5968-79-6

Created by admin on Fri Dec 15 17:24:01 GMT 2023 , Edited by admin on Fri Dec 15 17:24:01 GMT 2023

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