NIZARACIANINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C51H66N4O9S2
Molecular Weight	943.221
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCC[N+](C)(C)C)C4=CC=C(C=C4C3(C)C)S([O-])(=O)=O)=C2OC5=CC=C(CCC([O-])=O)C=C5)N(CCC[N+](C)(C)C)C6=CC=C(C=C16)S([O-])(=O)=O

InChI

InChIKey=YSBIMBNVFDDBKM-UHFFFAOYSA-N

InChI=1S/C51H66N4O9S2/c1-50(2)42-34-40(65(58,59)60)23-25-44(42)52(30-12-32-54(5,6)7)46(50)27-19-37-14-11-15-38(49(37)64-39-21-16-36(17-22-39)18-29-48(56)57)20-28-47-51(3,4)43-35-41(66(61,62)63)24-26-45(43)53(47)31-13-33-55(8,9)10/h16-17,19-28,34-35H,11-15,18,29-33H2,1-10H3

HIDE SMILES / InChI

Molecular Formula	C51H66N4O9S2
Molecular Weight	943.221
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:27:52 GMT 2023` Edited by `admin` on `Sat Dec 16 18:27:52 GMT 2023`
Record UNII	J6T8QRX2LR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIZARACIANINE

Official Name

English

3-(4-((6-(2-(3,3-DIMETHYL-5-SULFONATO-1-(3-(TRIMETHYLAZANIUMYL)PROPYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE)-2-(2-(3,3-DIMETHYL-5-SULFONATO-1-(3-(TRIMETHYLAZANIUMYL)PROPYL)-3H-INDOL-1-IUM-2-YL)ETHEN-1-YL)CYCLOHEX-1-EN-1-YL)OXY)PHENYL)PROPANOATE

Systematic Name

English

ZW-800

Code

English

nizaracianine [INN]

Common Name

English

3H-INDOLIUM, 2-(2-(2-(4-(2-CARBOXYETHYL)PHENOXY)-3-(2-(1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(3-(TRIMETHYLAMMONIO)PROPYL)-2H-INDOL-2-YLIDENE)ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL)-3,3-DIMETHYL-5-SULFO-1-(3-(TRIMETHYLAMMONIO)PROPYL)-, TRIS(INNER SALT)

Systematic Name

English

Code System Code Type Description

INN

11750