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Details

Stereochemistry ACHIRAL
Molecular Formula C48H48N5O3.Cl
Molecular Weight 778.379
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RHODANILE BLUE

SMILES

[Cl-].CCN(CC)C1=CC=C2N=C3C(OC2=C1)=CC(=NC(=O)C4=C(C=CC=C4)C5=C6C=CC(=CC6=[O+]C7=C5C=CC(=C7)N(CC)CC)N(CC)CC)C8=CC=CC=C38

InChI

InChIKey=UYQVPCFMVWEDCA-HAIIBULWSA-M
InChI=1S/C48H48N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-30H,7-12H2,1-6H3;1H/q+1;/p-1/b50-41+;

HIDE SMILES / InChI

Approval Year

Name Type Language
RHODANILE BLUE
Common Name English
NSC-326193
Code English
Ammonium, [6-(diethylamino)-9-[o-[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]carbamoyl]phenyl]-3H-xanthen-3-ylidene]diethyl-, chloride
Systematic Name English
Xanthylium, 3,6-bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-, chloride (1:1)
Systematic Name English
Ethanaminium, N-[6-(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-3H-xanthen-3-ylidene]-N-ethyl-, chloride
Systematic Name English
[6-(diethylamino)-9-[2-[[9-(diethylamino)-6,12-dihydrobenzo[a]phenoxazin-5-ylidene]carbamoyl]phenyl]xanthen-3-ylidene]-diethylazanium;chloride
Systematic Name English
Code System Code Type Description
NSC
326193
Created by admin on Sat Dec 16 12:46:35 GMT 2023 , Edited by admin on Sat Dec 16 12:46:35 GMT 2023
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FDA UNII
TW5J4YM6QX
Created by admin on Sat Dec 16 12:46:35 GMT 2023 , Edited by admin on Sat Dec 16 12:46:35 GMT 2023
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CAS
14969-56-3
Created by admin on Sat Dec 16 12:46:35 GMT 2023 , Edited by admin on Sat Dec 16 12:46:35 GMT 2023
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ECHA (EC/EINECS)
239-040-0
Created by admin on Sat Dec 16 12:46:35 GMT 2023 , Edited by admin on Sat Dec 16 12:46:35 GMT 2023
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PUBCHEM
73372
Created by admin on Sat Dec 16 12:46:35 GMT 2023 , Edited by admin on Sat Dec 16 12:46:35 GMT 2023
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