APHELANDRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O4
Molecular Weight	492.6098
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C(C=C1)[C@H]2OC3=CC=C4C=C3[C@@H]2C(=O)[N@@]5CCCCNCCCN[C@H]4CC(=O)NCCC5

InChI

InChIKey=ASCIWXOCZAWSON-MSLLRLGPSA-N

InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36N4O4
Molecular Weight	492.6098
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:41:55 GMT 2025` Edited by `admin` on `Tue Apr 01 16:41:55 GMT 2025`
Record UNII	5FP0U18G3V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APHELANDRINE

Common Name

English

(+)-APHELANDRINE

Preferred Name

English

4H-1,16-ETHENO-5,15-(PROPANIMINOETHANO)FURO(3,4-L)(1,5,10)TRIAZACYCLOHEXADECINE-4,21-DIONE, 3,3A,6,7,8,9,10,11,12,13,14,15-DODECAHYDRO-3-(4-HYDROXYPHENYL)-, (3S,3AS,15S)-

Systematic Name

English

APHELANDRINE, (+)-

Common Name

English

APHELANDRIN

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40989885

Created by admin on Tue Apr 01 16:41:55 GMT 2025 , Edited by admin on Tue Apr 01 16:41:55 GMT 2025

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CAS

69721-57-9

Created by admin on Tue Apr 01 16:41:55 GMT 2025 , Edited by admin on Tue Apr 01 16:41:55 GMT 2025

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FDA UNII

5FP0U18G3V

Created by admin on Tue Apr 01 16:41:55 GMT 2025 , Edited by admin on Tue Apr 01 16:41:55 GMT 2025

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PUBCHEM

11225639

Created by admin on Tue Apr 01 16:41:55 GMT 2025 , Edited by admin on Tue Apr 01 16:41:55 GMT 2025

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