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Details

Stereochemistry ACHIRAL
Molecular Formula C27H39N3O
Molecular Weight 421.6181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of PENTACYNIUM

SMILES

C[N+](C)(CCCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC[N+]3(C)CCOCC3

InChI

InChIKey=GKPFBMQXTRZTOW-UHFFFAOYSA-N
InChI=1S/C27H39N3O/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15H,10-11,16-23H2,1-3H3/q+2

HIDE SMILES / InChI

Molecular Formula C27H39N3O
Molecular Weight 421.6181
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Pentacynium bis-methylsulphate (presidal) is a salt of pentacynium, which was studied as a ganglion-blocking agent to treat hypertension. Glaxo Wellcome developed this drug; however, information about the further use of pentacynium is not available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Pentacynium bis-methylsulphate (presidal) in the management of hypertension.
1958 Feb 15
Effects of pentacynium methylsulphate on renal circulation in hypertension.
1958 Jul 12
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:05 GMT 2023
Edited
by admin
on Fri Dec 15 15:57:05 GMT 2023
Record UNII
L5D6922DJI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTACYNIUM
Common Name English
N-(N'-(5-CYANO-5,5-DIPHENYLPENTYL)-N'-DIMETHYLAMMONIUMMETHYL)-N-METHYLMORPHOLINIUM
Common Name English
PENTACYNIUM CATION
Common Name English
PENTACYNIUM ION
Common Name English
Code System Code Type Description
CAS
13087-58-6
Created by admin on Fri Dec 15 15:57:05 GMT 2023 , Edited by admin on Fri Dec 15 15:57:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID20156770
Created by admin on Fri Dec 15 15:57:05 GMT 2023 , Edited by admin on Fri Dec 15 15:57:05 GMT 2023
PRIMARY
FDA UNII
L5D6922DJI
Created by admin on Fri Dec 15 15:57:05 GMT 2023 , Edited by admin on Fri Dec 15 15:57:05 GMT 2023
PRIMARY
PUBCHEM
10390948
Created by admin on Fri Dec 15 15:57:05 GMT 2023 , Edited by admin on Fri Dec 15 15:57:05 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY