APHYLLINE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H24N2O
Molecular Weight	248.3639
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of APHYLLINE

Structure Search

SMILES

O=C1[C@@H]2C[C@@H](CN3CCCC[C@@H]23)[C@H]4CCCCN14

InChI

InChIKey=YQMWQSMYVPLYDI-DGAVXFQQSA-N

InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13+,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H24N2O
Molecular Weight	248.3639
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:12:52 GMT 2025` Edited by `admin` on `Mon Mar 31 22:12:52 GMT 2025`
Record UNII	A1SH4Z06WP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APHYLLINE

Common Name

English

(+)-APHYLLINE

Preferred Name

English

D-APHYLLINE

Common Name

English

APHYLLINE [MI]

Common Name

English

10-OXOSPARTEINE

Common Name

English

7,14-METHANO-2H,6H-DIPYRIDO(1,2-A:1',2'-E)(1,5)DIAZOCIN-6-ONE, DODECAHYDRO-, (7R,7AS,14S,14AR)-

Systematic Name

English

Code System Code Type Description

CAS

577-37-7

Created by admin on Mon Mar 31 22:12:52 GMT 2025 , Edited by admin on Mon Mar 31 22:12:52 GMT 2025

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MERCK INDEX

m1986

Created by admin on Mon Mar 31 22:12:52 GMT 2025 , Edited by admin on Mon Mar 31 22:12:52 GMT 2025

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Merck Index

PUBCHEM

21769904

Created by admin on Mon Mar 31 22:12:52 GMT 2025 , Edited by admin on Mon Mar 31 22:12:52 GMT 2025

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FDA UNII

A1SH4Z06WP

Created by admin on Mon Mar 31 22:12:52 GMT 2025 , Edited by admin on Mon Mar 31 22:12:52 GMT 2025

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EPA CompTox

DTXSID80332013

Created by admin on Mon Mar 31 22:12:52 GMT 2025 , Edited by admin on Mon Mar 31 22:12:52 GMT 2025

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