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13254-33-6

Basic Information
CAS No.: 13254-33-6
Name: Carpronium chloride
Molecular Structure:
Molecular Structure of 13254-33-6 (Carpronium chloride)
Formula: C8H18NO2.Cl
Molecular Weight: 195.689
Synonyms: (3-Carboxypropyl)trimethylammoniumchloride, methyl ester (6CI,7CI);1-Butanaminium, 4-methoxy-N,N,N-trimethyl-4-oxo-,chloride (9CI);Ammonium, (3-carboxypropyl)trimethyl-, chloride, methyl ester(8CI);3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride methyl ester;Actinamin;Carpronium chloride;Furozin;Methyl N-trimethyl-g-aminobutyrate chloride;Methyltrimethyl-g-aminobutyrate chloride;g-Butyrobetaine chloride methylester;
EINECS: 236-243-6
Melting Point: 126°
PSA: 26.30000
LogP: -2.35020
Synthetic route
4-trimethylammonio-buten-(2)-oic acid (1)-methyl ester chloride

4-trimethylammonio-buten-(2)-oic acid (1)-methyl ester chloride

13254-33-6

(3-carboxypropyl)trimethylammonium chloride methyl ester

Conditions
ConditionsYield
With hydrogenchloride; palladium Hydrogenation;
67-56-1

methanol

4-trimethylammonio-butyric acid-chloride

4-trimethylammonio-butyric acid-chloride

13254-33-6

(3-carboxypropyl)trimethylammonium chloride methyl ester

Conditions
ConditionsYield
With hydrogenchloride
13254-33-6

(3-carboxypropyl)trimethylammonium chloride methyl ester

A

96-48-0

4-butanolide

B

75-57-0

tetramethlyammonium chloride

Conditions
ConditionsYield
at 0 - 250℃; Mechanism; Heating; pyrolysis of various carpronium chloride derivatives, labelled derivatives;
1310-58-3

potassium hydroxide

13254-33-6

(3-carboxypropyl)trimethylammonium chloride methyl ester

C7H15NO2*HO(1-)*K(1+)

Conditions
ConditionsYield
In ethanol at 2 - 23℃; for 0.5 - 4h; Product distribution / selectivity;
1310-73-2

sodium hydroxide

13254-33-6

(3-carboxypropyl)trimethylammonium chloride methyl ester

C7H15NO2*HO(1-)*Na(1+)

Conditions
ConditionsYield
In ethanol at 2 - 23℃; for 1.5 - 4h; Product distribution / selectivity;
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    Carpronium chloride

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Specification

 The Carpronium chloride ,its cas register number is 13254-33-6.It also can be called as 4-Methoxy-N,N,N-trimethyl-4-oxo-1-butanaminium chloride and the IUPAC name about this chemicals is (4-Methoxy-4-oxobutyl)-trimethylazanium chloride .This chemical has a related registry number is 14075-13-9 (Parent) .Classification code about it is Drug / Therapeutic . It is a hair growth reagent with a vasodilatory action.

The Carpronium chloride , a hair growth reagent, is known to have a vasodilatory action, but its direct effect on the microcirculation has been known very primitively. This study was aimed to examine its effects on the vascular smooth muscles and blood flow in rat mesenteric arterioles using intravital videomicroscopy. After topically applying carpronium chloride on the microvasculature, we measured changes of diameter and blood flow in the arterioles. During its topical application, arteriolar vasodilation and flow increase were observed, while no change occurred in the mean systemic blood pressure. Our in vivo studies indicated that carpronium chloride achieved dilatation of vascular smooth muscle in the microcirculation.

This chemicals can be described computed from structure:
(1)Canonical SMILES: C[N+](C)(C)CCCC(=O)OC.[Cl-]
(2)InChI: InChI=1S/C8H18NO2.ClH/c1-9(2,3)7-5-6-8(10)11-4;/h5-7H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: RZMKWKZIJJNSLQ-UHFFFAOYSA-M

The most important thing about Carpronium chloride is the toxicity, following is the form:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 14600ug/kg (14.6mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 1, Pg. 74, 1967.
mouse LD50 oral 134mg/kg (134mg/kg)   Drugs in Japan Vol. 6, Pg. 135, 1982.
mouse LD50 skin > 520mg/kg (520mg/kg)   Drugs in Japan Vol. -, Pg. 283, 1990.
rat LD50 oral 478mg/kg (478mg/kg)   Drugs in Japan Vol. 6, Pg. 135, 1982.
rat LD50 skin 8484mg/kg (8484mg/kg)   Drugs in Japan Vol. -, Pg. 283, 1990.