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Details

Stereochemistry ACHIRAL
Molecular Formula C27H39N3O
Molecular Weight 421.6181
Optical Activity NONE
Defined Stereocenters 0 / 2
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 / 2
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
Effects of pentacynium methylsulphate on renal circulation in hypertension.
1958-07-12
Pentacynium bis-methylsulphate (presidal) in the management of hypertension.
1958-02-15
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:14:19 GMT 2025
Edited
by admin
on Mon Mar 31 18:14:19 GMT 2025
Record UNII
L5D6922DJI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(N'-(5-CYANO-5,5-DIPHENYLPENTYL)-N'-DIMETHYLAMMONIUMMETHYL)-N-METHYLMORPHOLINIUM
Preferred Name English
PENTACYNIUM
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 Mon Mar 31 18:14:19 GMT 2025 , Edited by admin on Mon Mar 31 18:14:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID20156770
Created by admin on Mon Mar 31 18:14:19 GMT 2025 , Edited by admin on Mon Mar 31 18:14:19 GMT 2025
PRIMARY
FDA UNII
L5D6922DJI
Created by admin on Mon Mar 31 18:14:19 GMT 2025 , Edited by admin on Mon Mar 31 18:14:19 GMT 2025
PRIMARY
PUBCHEM
10390948
Created by admin on Mon Mar 31 18:14:19 GMT 2025 , Edited by admin on Mon Mar 31 18:14:19 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY