GRISABUTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H40N2O6
Molecular Weight	596.7126
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1O)[C@@H](CC3=CC=C(OC4=CC(C[C@@H]5N(C)CCC6=C5C=C(O)C(OC)=C6)=CC=C4O)C=C3)N(C)CC2

InChI

InChIKey=FDABVSXGAMFQQH-IHLOFXLRSA-N

InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H40N2O6
Molecular Weight	596.7126
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	850A38GCSI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAGNOLINE

Preferred Name

English

GRISABUTINE

Common Name

English

MAGNOLINE [MI]

Common Name

English

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

Systematic Name

English

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

Common Name

English

MAGNOLIN

Common Name

English

Code System Code Type Description

CAS

6859-66-1