O-Methylfagaronine methosulfate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H22NO4.CH3O4S
Molecular Weight	475.512
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-Methylfagaronine methosulfate

Structure Search

SMILES

COS([O-])(=O)=O.COC1=CC2=C(C=C1OC)C3=C(C4=CC(OC)=C(OC)C=C4C=C3)[N+](C)=C2

InChI

InChIKey=STFXOYYCVIFLIF-UHFFFAOYSA-M

InChI=1S/C22H22NO4.CH4O4S/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23;1-5-6(2,3)4/h6-12H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	CH3O4S
Molecular Weight	111.097
Charge	-1
Count

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

Molecular Formula	C22H22NO4
Molecular Weight	364.4144
Charge	1
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 `Fri Dec 15 17:44:11 GMT 2023` Edited by `admin` on `Fri Dec 15 17:44:11 GMT 2023`
Record UNII	A7KZW8TML4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-Methylfagaronine methosulfate

Common Name

English

Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, methyl sulfate (1:1)

Systematic Name

English

Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, methyl sulfate

Systematic Name

English

NSC-166720

Code

English

Methyl sulfate; 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium

Systematic Name

English

Code System Code Type Description

NSC

166720