METESCUFYLLINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H21N5O2.C12H10O6
Molecular Weight	529.5423
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METESCUFYLLINE

Structure Search

SMILES

CC1=CC(=O)OC2=CC(O)=C(OCC(O)=O)C=C12.CCN(CC)CCN3C=NC4=C3C(=O)N(C)C(=O)N4C

InChI

InChIKey=UEIODQNTKDNZDV-UHFFFAOYSA-N

InChI=1S/C13H21N5O2.C12H10O6/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h9H,5-8H2,1-4H3;2-4,13H,5H2,1H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

METESCUFYLLINE

Official Name

English

Metescufylline [WHO-DD]

Common Name

English

METESCUFYLLINE [MART.]

Common Name

English

7-(2-(DIETHYLAMINO)ETHYL)THEOPHYLLINE ((7-HYDROXY-4-METHYL-2-OXO-2H-1-BENZOPYRAN-6-YL)OXY)ACETATE

Systematic Name

English

METESCUFYLLINE [MI]

Common Name

English

metescufylline [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C744

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

NCI_THESAURUS

C319

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

Code System Code Type Description

CAS

15518-82-8

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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SMS_ID

100000081203

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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PUBCHEM

5464309

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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NCI_THESAURUS

C66109

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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MERCK INDEX

m324

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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Merck Index

EPA CompTox

DTXSID80165848

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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ECHA (EC/EINECS)

239-550-3

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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EVMPD

SUB08826MIG

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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FDA UNII

I542T3H3T2

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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INN

1814

Created by admin on Fri Dec 15 15:46:11 GMT 2023 , Edited by admin on Fri Dec 15 15:46:11 GMT 2023

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ACTIVE MOIETY


					221A91BQ2S

ACTIVE MOIETY


					HO6I89Z64J

SUBSTANCE RECORD


					I542T3H3T2