GRISABINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42N2O6
Molecular Weight	610.7392
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C[C@@H]2N(C)CCC3=C2C=C(O)C(OC)=C3)C=C1OC4=CC=C(C[C@H]5N(C)CCC6=C5C=C(O)C(OC)=C6)C=C4

InChI

InChIKey=ZKGBUDJODLZAHS-JSOSNVBQSA-N

InChI=1S/C37H42N2O6/c1-38-14-12-25-19-35(43-4)32(40)21-28(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H42N2O6
Molecular Weight	610.7392
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:42:27 GMT 2025` Edited by `admin` on `Mon Mar 31 21:42:27 GMT 2025`
Record UNII	1H6Z9Y6189
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-GRISABINE

Preferred Name

English

GRISABINE

Common Name

English

1-EPICUSPIDALINE

Common Name

English

7-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-6-METHOXY-1-((4-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-7-HYDROXY-6-METHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)PHENYL)METHYL)-2-METHYL-, (S-(R*,S*))-

Common Name

English

7-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-6-METHOXY-1-((4-(2-METHOXY-5-(((1S)-1,2,3,4-TETRAHYDRO-7-HYDROXY-6-METHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)PHENYL)METHYL)-2-METHYL-, (1R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

1H6Z9Y6189

Created by admin on Mon Mar 31 21:42:27 GMT 2025 , Edited by admin on Mon Mar 31 21:42:27 GMT 2025

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EPA CompTox

DTXSID80211112

Created by admin on Mon Mar 31 21:42:27 GMT 2025 , Edited by admin on Mon Mar 31 21:42:27 GMT 2025

PRIMARY

CAS

62057-36-7

Created by admin on Mon Mar 31 21:42:27 GMT 2025 , Edited by admin on Mon Mar 31 21:42:27 GMT 2025

PRIMARY

PUBCHEM

12305304

Created by admin on Mon Mar 31 21:42:27 GMT 2025 , Edited by admin on Mon Mar 31 21:42:27 GMT 2025

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