Secantioquine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H38N2O8
Molecular Weight	638.7062
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1OC3=C(O)C(OC)=CC4=C3[C@H](CC5=CC=C(OC)C(=C5)C6=CC(C=O)=CC=C6O)N(C)CC4)C(=O)N(C)CC2

InChI

InChIKey=ZOBAYWQPWZMJPP-NDEPHWFRSA-N

InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H38N2O8
Molecular Weight	638.7062
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:44:49 GMT 2023` Edited by `admin` on `Sat Dec 16 15:44:49 GMT 2023`
Record UNII	H4K7MLE67A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Secantioquine

Common Name

English

6-Hydroxy-2′-methoxy-5′-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl][1,1′-biphenyl]-3-carboxaldehyde

Systematic Name

English

S-Secoantioquine

Common Name

English

4-Hydroxy-3-[5-[[(1S)-7-Hydroxy-6-Methoxy-8-[(6-Methoxy-2-Methyl-1-Oxo-3,4-Dihydroisoquinolin-7-Yl)Oxy]-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl]Methyl]-2-Methoxyphenyl]Benzaldehyde

Systematic Name

English

[1,1′-Biphenyl]-3-carboxaldehyde, 6-hydroxy-2′-methoxy-5′-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

H4K7MLE67A

Created by admin on Sat Dec 16 15:44:49 GMT 2023 , Edited by admin on Sat Dec 16 15:44:49 GMT 2023

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CAS

93767-29-4

Created by admin on Sat Dec 16 15:44:49 GMT 2023 , Edited by admin on Sat Dec 16 15:44:49 GMT 2023

PRIMARY

PUBCHEM

44559885

Created by admin on Sat Dec 16 15:44:49 GMT 2023 , Edited by admin on Sat Dec 16 15:44:49 GMT 2023

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EPA CompTox

DTXSID30659484

Created by admin on Sat Dec 16 15:44:49 GMT 2023 , Edited by admin on Sat Dec 16 15:44:49 GMT 2023

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