AMBENONIUM CHLORIDE TETRAHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H42Cl2N4O2.2Cl.4H2O
Molecular Weight	680.532
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMBENONIUM CHLORIDE TETRAHYDRATE

Structure Search

SMILES

O.O.O.O.[Cl-].[Cl-].CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=C(Cl)C=CC=C1)CC2=C(Cl)C=CC=C2

InChI

InChIKey=FFLYNBGKFQTWPI-UHFFFAOYSA-N

InChI=1S/C28H40Cl2N4O2.2ClH.4H2O/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;;;;;/h9-16H,5-8,17-22H2,1-4H3;2*1H;4*1H2

HIDE SMILES / InChI

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	C28H42Cl2N4O2
Molecular Weight	537.565
Charge	2
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:38:17 UTC 2023` Edited by `admin` on `Fri Dec 15 16:38:17 UTC 2023`
Record UNII	9T1OT01KW1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMBENONIUM CHLORIDE TETRAHYDRATE

Common Name

English

(OXALYLBIS(IMINOETHYLENE))BIS((O-CHLOROBENZYL)DIETHYLAMMONIUM) DICHLORIDE TETRAHYDRATE

Common Name

English

BENZENEMETHANAMINIUM, N,N'-((1,2-DIOXO-1,2-ETHANEDIYL)BIS(IMINO-2,1-ETHANEDIYL))BIS(2-CHLORO-N,N-DIETHYL-, DICHLORIDE, TETRAHYDRATE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47792