1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM-1-YL)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL ISOQUINOLINIUM, DIIODIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C43H56N2O8.2I
Molecular Weight	982.7223
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure of 1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM-1-YL)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL ISOQUINOLINIUM, DIIODIDE

Structure Search

SMILES

[I-].[I-].COC1=C(OC2=CC(OC)=C(OC)C=C2CC3C4=CC(OC)=C(OC)C=C4CC[N+]3(C)C)C=C(CC5C6=CC(OC)=C(OC)C=C6CC[N+]5(C)C)C=C1

InChI

InChIKey=LQAWFOCFBSSILO-UHFFFAOYSA-L

InChI=1S/C43H56N2O8.2HI/c1-44(2)16-14-28-21-37(47-6)40(50-9)24-31(28)33(44)18-27-12-13-35(46-5)43(19-27)53-36-26-42(52-11)39(49-8)23-30(36)20-34-32-25-41(51-10)38(48-7)22-29(32)15-17-45(34,3)4;;/h12-13,19,21-26,33-34H,14-18,20H2,1-11H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula	C43H56N2O8
Molecular Weight	728.9133
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED
StereoComments	Assumed mixed

Molecular Formula	HI
Molecular Weight	127.91241
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:03:03 GMT 2025` Edited by `admin` on `Tue Apr 01 20:03:03 GMT 2025`
Record UNII	W6SUP93DWY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-247051

Preferred Name

English

1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM-1-YL)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL ISOQUINOLINIUM, DIIODIDE

Systematic Name

English

1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM-1-YL)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL-, DIIODIDE, ISOQUINOLINIUM

Systematic Name

English

Code System Code Type Description

PUBCHEM

131882011

Created by admin on Tue Apr 01 20:03:03 GMT 2025 , Edited by admin on Tue Apr 01 20:03:03 GMT 2025

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PUBCHEM

FDA UNII

W6SUP93DWY

Created by admin on Tue Apr 01 20:03:03 GMT 2025 , Edited by admin on Tue Apr 01 20:03:03 GMT 2025

PRIMARY

CAS

61307-68-4

Created by admin on Tue Apr 01 20:03:03 GMT 2025 , Edited by admin on Tue Apr 01 20:03:03 GMT 2025

PRIMARY

NSC

247051

Created by admin on Tue Apr 01 20:03:03 GMT 2025 , Edited by admin on Tue Apr 01 20:03:03 GMT 2025

PRIMARY

Related Record Type Details


					44R6QU5TL8

1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIO)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM

PARENT -> SALT/SOLVATE