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Details

Stereochemistry ACHIRAL
Molecular Formula C27H39N3O.2CH3O4S
Molecular Weight 643.812
Optical Activity NONE
Defined Stereocenters 0 / 0
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 CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

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
139594
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 Sat Dec 16 10:56:07 GMT 2023
Edited
by admin
on Sat Dec 16 10:56:07 GMT 2023
Record UNII
M0S95LVC4O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTACYNIUM BIS(METHYL SULFATE)
Common 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
4-(2-((5-CYANO-5,5-DIPHENYLPENTYL)METHYLAMINO)ETHYL)-4-METHYLMORPHOLINIUM METHYL SULFATE METHOSULFATE
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 Sat Dec 16 10:56:07 GMT 2023 , Edited by admin on Sat Dec 16 10:56:07 GMT 2023
PRIMARY
PUBCHEM
20055244
Created by admin on Sat Dec 16 10:56:07 GMT 2023 , Edited by admin on Sat Dec 16 10:56:07 GMT 2023
PRIMARY
MERCK INDEX
m389
Created by admin on Sat Dec 16 10:56:07 GMT 2023 , Edited by admin on Sat Dec 16 10:56:07 GMT 2023
PRIMARY Merck Index
FDA UNII
M0S95LVC4O
Created by admin on Sat Dec 16 10:56:07 GMT 2023 , Edited by admin on Sat Dec 16 10:56:07 GMT 2023
PRIMARY
Related Record Type Details
Structure of PENTACYNIUM
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