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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N2O.Cl
Molecular Weight 358.905
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRONINE B

SMILES

[Cl-].CCN(CC)C1=CC2=[O+]C3=CC(=CC=C3C=C2C=C1)N(CC)CC

InChI

InChIKey=CXZRDVVUVDYSCQ-UHFFFAOYSA-M
InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula C21H27N2O
Molecular Weight 323.4519
Charge 1
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 Mon Mar 31 17:35:47 GMT 2025
Edited
by admin
on Mon Mar 31 17:35:47 GMT 2025
Record UNII
N3P889IX5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRONINE B
MI  
Common Name English
NSC-44690
Preferred Name English
3,6-BIS(DIETHYLAMINO)XANTHYLIUM CHLORIDE
Systematic Name English
C.I. 45010
Common Name English
PYRONINE B [MI]
Common Name English
CI-45010
Common Name English
Code System Code Type Description
PUBCHEM
16524
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-429-9
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY
CAS
2150-48-3
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY
MERCK INDEX
m9388
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY Merck Index
MESH
C012020
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY
CHEBI
90405
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY
NSC
44690
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID1062209
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY
FDA UNII
N3P889IX5O
Created by admin on Mon Mar 31 17:35:47 GMT 2025 , Edited by admin on Mon Mar 31 17:35:47 GMT 2025
PRIMARY