DITERCALINIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H50N6O2.2Cl
Molecular Weight	789.834
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].[Cl-].COC1=CC=C2NC3=CC=C4C=C[N+](CCN5CCC(CC5)C6CCN(CC[N+]7=CC8=C9C(NC%10=CC=C(OC)C=C9%10)=CC=C8C=C7)CC6)=CC4=C3C2=C1

InChI

InChIKey=FWBSWSRNGHRDFZ-UHFFFAOYSA-N

InChI=1S/C46H48N6O2.2ClH/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44;;/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H

HIDE SMILES / InChI

Molecular Formula	C46H48N6O2
Molecular Weight	716.9123
Charge	0
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 16:03:50 UTC 2023` Edited by `admin` on `Fri Dec 15 16:03:50 UTC 2023`
Record UNII	40Z22S8DO8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DITERCALINIUM CHLORIDE

Official Name

English

NSC-335153

Code

English

2,2'-((4,4'-BIPIPERIDINE)-1,1'-DIYLDIETHYLENE)BIS(10-METHOXY-7H-PYRIDO(4,3-C)CARBAZOLIUM) DICHLORIDE

Common Name

English

ditercalinium chloride [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C582