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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16NO5
Molecular Weight 362.3554
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of CHELIRUBINE

SMILES

COC1=CC2=C(OCO2)C3=C1C4=CC=C5C=C6OCOC6=CC5=C4[N+](C)=C3

InChI

InChIKey=RNSBFHHWMMKJAM-UHFFFAOYSA-N
InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C21H16NO5
Molecular Weight 362.3554
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 20:21:28 GMT 2025
Edited
by admin
on Mon Mar 31 20:21:28 GMT 2025
Record UNII
XQ9RQW6TBJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHELIRUBINE
Common Name English
BOCCONINE
Preferred Name English
(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDINIUM, 5-METHOXY-13-METHYL-
Systematic Name English
5-METHOXY-13-METHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDINIUM
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10171235
Created by admin on Mon Mar 31 20:21:28 GMT 2025 , Edited by admin on Mon Mar 31 20:21:28 GMT 2025
PRIMARY
PUBCHEM
161243
Created by admin on Mon Mar 31 20:21:28 GMT 2025 , Edited by admin on Mon Mar 31 20:21:28 GMT 2025
PRIMARY
FDA UNII
XQ9RQW6TBJ
Created by admin on Mon Mar 31 20:21:28 GMT 2025 , Edited by admin on Mon Mar 31 20:21:28 GMT 2025
PRIMARY
CAS
18203-11-7
Created by admin on Mon Mar 31 20:21:28 GMT 2025 , Edited by admin on Mon Mar 31 20:21:28 GMT 2025
PRIMARY
CHEBI
17031
Created by admin on Mon Mar 31 20:21:28 GMT 2025 , Edited by admin on Mon Mar 31 20:21:28 GMT 2025
PRIMARY