SANGUINARIUM CHLORIDE TRIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H14NO4.Cl.3H2O
Molecular Weight	421.828
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SANGUINARIUM CHLORIDE TRIHYDRATE

Structure Search

SMILES

O.O.O.[Cl-].C[N+]1=CC2=C3OCOC3=CC=C2C4=C1C5=C(C=C4)C=C6OCOC6=C5

InChI

InChIKey=JRHOERGRGMCLNB-UHFFFAOYSA-M

InChI=1S/C20H14NO4.ClH.3H2O/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;;;;/h2-8H,9-10H2,1H3;1H;3*1H2/q+1;;;;/p-1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C20H14NO4
Molecular Weight	332.3295
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 15:15:39 UTC 2023` Edited by `admin` on `Fri Dec 15 15:15:39 UTC 2023`
Record UNII	8054B8370A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SANGUINARIUM CHLORIDE TRIHYDRATE

Common Name

English

(1,3)BENZODIOXOLO)5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDINIUM, 13-METHYL-, CHLORIDE, HYDRATE

Common Name

English

SANGUINARIUM CHLORIDE HYDRATE

Common Name

English

(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDINIUM, 13-METHYL-, CHLORIDE, HYDRATE (1:1:3)

Systematic Name

English

Code System Code Type Description

CAS

1264212-29-4