SPIROXEPIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C19H21NO3
Molecular Weight	311.3749
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SPIROXEPIN

Structure Search

SMILES

CN(C)CC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24

InChI

InChIKey=CMEBTCWURHMCEE-UHFFFAOYSA-N

InChI=1S/C19H21NO3/c1-20(2)11-15-13-22-19(23-15)16-8-4-3-7-14(16)12-21-18-10-6-5-9-17(18)19/h3-10,15H,11-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C19H21NO3
Molecular Weight	311.3749
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: European Journal of Medicinal Chemistry (1974), 9, (3), 286-97. | https://www.ncbi.nlm.nih.gov/pubmed/16045304

Spiroxepin is a dioxolane derivative patented by Delalande S. A. as an antidepressant and spasmolytic agent.

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.	2005 Jul-Aug	16045304

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:51:58 GMT 2023` Edited by `admin` on `Fri Dec 15 15:51:58 GMT 2023`
Record UNII	80O018LGCI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPIROXEPIN

Official Name

English

spiroxepin [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

Code System Code Type Description

NCI_THESAURUS

C75179

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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PUBCHEM

68674

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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EVMPD

SUB10636MIG

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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EPA CompTox

DTXSID60866129

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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CAS

47254-05-7

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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ChEMBL

CHEMBL2107575

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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INN

3661

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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FDA UNII

80O018LGCI

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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ECHA (EC/EINECS)

256-304-0

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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SMS_ID

100000083811

Created by admin on Fri Dec 15 15:51:58 GMT 2023 , Edited by admin on Fri Dec 15 15:51:58 GMT 2023

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