U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of NIZARACIANINE

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

Approval Year

Name Type Language
NIZARACIANINE
INN  
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
Created by admin on Sat Dec 16 18:27:52 GMT 2023 , Edited by admin on Sat Dec 16 18:27:52 GMT 2023
PRIMARY
CAS
2412505-92-9
Created by admin on Sat Dec 16 18:27:52 GMT 2023 , Edited by admin on Sat Dec 16 18:27:52 GMT 2023
ALTERNATIVE
SMS_ID
300000039056
Created by admin on Sat Dec 16 18:27:52 GMT 2023 , Edited by admin on Sat Dec 16 18:27:52 GMT 2023
PRIMARY
CAS
1239619-02-3
Created by admin on Sat Dec 16 18:27:52 GMT 2023 , Edited by admin on Sat Dec 16 18:27:52 GMT 2023
PRIMARY
FDA UNII
J6T8QRX2LR
Created by admin on Sat Dec 16 18:27:52 GMT 2023 , Edited by admin on Sat Dec 16 18:27:52 GMT 2023
PRIMARY
PUBCHEM
58070791
Created by admin on Sat Dec 16 18:27:52 GMT 2023 , Edited by admin on Sat Dec 16 18:27:52 GMT 2023
PRIMARY
NCI_THESAURUS
C184858
Created by admin on Sat Dec 16 18:27:52 GMT 2023 , Edited by admin on Sat Dec 16 18:27:52 GMT 2023
PRIMARY