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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24NO4.I
Molecular Weight 481.324
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICENTRINE METHIODIDE

SMILES

[I-].[H][C@]12CC3=C(C=C(OC)C(OC)=C3)C4=C1C(CC[N+]2(C)C)=CC5=C4OCO5

InChI

InChIKey=NKSAVRPTWQSOOB-RSAXXLAASA-M
InChI=1S/C21H24NO4.HI/c1-22(2)6-5-12-8-18-21(26-11-25-18)20-14-10-17(24-4)16(23-3)9-13(14)7-15(22)19(12)20;/h8-10,15H,5-7,11H2,1-4H3;1H/q+1;/p-1/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H24NO4
Molecular Weight 354.4196
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:14:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:14:38 GMT 2023
Record UNII
50ZWR3FQFE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICENTRINE METHIODIDE
Common Name English
(+)-DICENTRINE METHIODIDE
Common Name English
DICENTRINE METHIODIDE, (+)-
Common Name English
N-METHYLDICENTRINIUM IODIDE
Common Name English
5H-BENZO(G)-1,3-BENZODIOXOLO(6,5,4-DE)QUINOLINE, 6,7,7A,8-TETRAHYDRO-10,11-DIMETHOXY-7,7-DIMETHYL-, IODIDE, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73425422
Created by admin on Sat Dec 16 09:14:38 GMT 2023 , Edited by admin on Sat Dec 16 09:14:38 GMT 2023
PRIMARY
FDA UNII
50ZWR3FQFE
Created by admin on Sat Dec 16 09:14:38 GMT 2023 , Edited by admin on Sat Dec 16 09:14:38 GMT 2023
PRIMARY
CAS
5742-04-1
Created by admin on Sat Dec 16 09:14:38 GMT 2023 , Edited by admin on Sat Dec 16 09:14:38 GMT 2023
PRIMARY