PENTACYNIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H39N3O.2Cl
Molecular Weight	492.524
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=KQULNVINMHYPGH-UHFFFAOYSA-L

InChI=1S/C27H39N3O.2ClH/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;2*1H/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 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13515206 | https://www.ncbi.nlm.nih.gov/pubmed/13546652

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

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:15:19 GMT 2023` Edited by `admin` on `Sat Dec 16 16:15:19 GMT 2023`
Record UNII	B08O4ROE04
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTACYNIUM CHLORIDE

Official Name

English

MORPHOLINIUM, 4-(2-((5-CYANO-5,5-DIPHENYLPENTYL)DIMETHYLAMMONIO)ETHYL)-4-METHYL-, CHLORIDE (1:2)

Systematic Name

English

pentacynium chloride [INN]

Common Name

English

N-(N'-(5-CYANO-5,5-DIPHENYLPENTYL)-N'-DIMETHYLAMMONIUMMETHYL)-N-METHYLMORPHOLINIUM DICHLORIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66886