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Details

Stereochemistry ACHIRAL
Molecular Formula C27H39N3O.2CH3O4S
Molecular Weight 643.812
Optical Activity NONE
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTACYNIUM BIS(METHYL SULFATE)

SMILES

COS([O-])(=O)=O.COS([O-])(=O)=O.C[N+](C)(CCCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC[N+]3(C)CCOCC3

InChI

InChIKey=STTOCSZNTPWKMI-UHFFFAOYSA-L
InChI=1S/C27H39N3O.2CH4O4S/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;2*1-5-6(2,3)4/h4-9,12-15H,10-11,16-23H2,1-3H3;2*1H3,(H,2,3,4)/q+2;;/p-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
Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Unknown
149124
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 23:30:57 GMT 2025
Edited
by admin
on Mon Mar 31 23:30:57 GMT 2025
Record UNII
M0S95LVC4O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTACYNIUM BIS(METHYL SULFATE)
Common Name English
4-(2-((5-CYANO-5,5-DIPHENYLPENTYL)METHYLAMINO)ETHYL)-4-METHYLMORPHOLINIUM METHYL SULFATE METHOSULFATE
Preferred Name English
MORPHOLINIUM, 4-(2-((5-CYANO-5,5-DIPHENYLPENTYL)DIMETHYLAMMONIO)ETHYL)-4-METHYL-, BIS(METHYL SULFATE)
Systematic Name English
PRESIDAL BIS(METHYL SULFATE)
Common Name English
BENZENEPENTANAMINIUM, .EPSILON.-CYANO-N,N-DIMETHYL-N-(2-(4-METHYLMORPHOLINIUM-4-YL)ETHYL)-.EPSILON.-PHENYL-, METHYL SULFATE (1:2)
Systematic Name English
N1-(5-CYANO-5,5-DIPHENYLPENTYL)-N1,N1,N2-TRIMETHYLETHYLENE-1-AMMONIUM-2-MORPHOLINIUM BISMETHYLSULFATE
Common Name English
PENTACYNIUM BIS(METHYLSULFATE) [MI]
Common Name English
PENTACYONE MESYLATE
Common Name English
Code System Code Type Description
CAS
3810-83-1
Created by admin on Mon Mar 31 23:30:57 GMT 2025 , Edited by admin on Mon Mar 31 23:30:57 GMT 2025
PRIMARY
PUBCHEM
20055244
Created by admin on Mon Mar 31 23:30:57 GMT 2025 , Edited by admin on Mon Mar 31 23:30:57 GMT 2025
PRIMARY
MERCK INDEX
m389
Created by admin on Mon Mar 31 23:30:57 GMT 2025 , Edited by admin on Mon Mar 31 23:30:57 GMT 2025
PRIMARY Merck Index
FDA UNII
M0S95LVC4O
Created by admin on Mon Mar 31 23:30:57 GMT 2025 , Edited by admin on Mon Mar 31 23:30:57 GMT 2025
PRIMARY
Related Record Type Details
Structure of PENTACYNIUM
ACTIVE MOIETY
NIH
NCATS
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