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Name	Trospium chloride	EINECS	233-875-4
CAS No.	10405-02-4	Density	N/A
PSA	46.53000	LogP	0.73250
Solubility	N/A	Melting Point	266-268 °C
Formula	C₂₅H₃₀NO₃	Boiling Point	N/A
Molecular Weight	427.971	Flash Point	N/A
Transport Information	N/A	Appearance	white to off-white powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Spiro[1aH,5aH-nortropane-8,1'-pyrrolidinium], 3a-hydroxy-, chloride, benzilate(8CI);Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium],3-[(hydroxydiphenylacetyl)oxy]-, chloride, (1a,3b,5a)- (9CI);Benzilic acid, esterwith 3a-hydroxyspiro[1aH,5aH-nortropane-8,1'-pyrrolidinium] chloride (8CI);AsXVII;Azoniaspiro compound XVII;Azoniaspiro(3a-benziloyloxynortropane-8,1'-pyrrolidine) chloride;Keptan;Relaspium;Sanctura;Spasmex;Spasmo 3;Spasmo-lyt;	Article Data	3

Trospium chloride Synthetic route

: 3464-71-9
Trospium spiroalcohol

: 15441-11-9
Benzilic acid imidazolide

: 10405-02-4
trospium chloride

Conditions

Conditions	Yield
dmap In N,N-dimethyl-formamide at 80℃; for 1.08333h; Product distribution / selectivity;	78%

: 557-47-1
lauryl sulfate

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C12H25O4S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: 20641-88-7
sulfuric acid monohexyl ester; deprotonated form

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C6H13O4S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: 45102-38-3
octyl sulfate

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C8H17O4S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: 45164-13-4
sulfuric acid monodecyl ester; deprotonated form

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C10H21O4S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: 60283-46-7
perfluorooctanesulfonate

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C8H17O3S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: 24708-25-6
pentane-1-sulfonate(1-)

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C5H11O3S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: 24613-78-3
perfluorohexanesulfonate

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C6H13O3S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: heptane-1-sulfonate(1-)

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C7H15O3S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

: C9H19O4S(1-)

: 10405-02-4
trospium chloride

: C25H30NO3(1+)*C9H19O4S(1-)

Conditions

Conditions	Yield
In chloroform; water for 24h;

Trospium chloride Chemical Properties

Molecular Structure of Trospium chloride (CAS NO.10405-02-4):

IUPAC Name: [(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate chloride
Empirical Formula: C₂₅H₃₀NO₃
Molecular Weight: 392.5101
ACD/LogP: -1.44
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1
ACD/LogD (pH 7.4): 1
ACD/BCF (pH 5.5): 2
ACD/BCF (pH 7.4): 2
ACD/KOC (pH 5.5): 57
ACD/KOC (pH 7.4): 57
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 46.53Å²
EINECS: 233-875-4
Melting point: 266-268°C
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals
SMILES: OC(c1ccccc1)(c2ccccc2)C(=O)O[C@@H]3C[C@@H]5CC[C@H](C3)[N+]45CCCC4
InChI: InChI=1/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+

Trospium chloride Toxicity Data With Reference

1.	orl-rat LD50:1510 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),137.
2.	ipr-rat LD50:97,700 µg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),137.
3.	scu-rat LD50:707 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),137.
4.	ivn-rat LD50:15,500 µg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),137.
5.	idu-rat LDLo:500 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),1037.
6.	orl-mus LD50:812 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),137.
7.	ipr-mus LD50:50 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),137.
8.	scu-mus LD50:203 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),137.
9.	ivn

Trospium chloride Safety Profile

Poison by subcutaneous, intravenous and intraperitoneal routes. Moderately toxic by ingestion and intraduodenal routes. When heated to decomposition it emits toxic fumes of Cl⁻ and NO_x.

Trospium chloride Specification

Trospium chloride , with CAS number of 10405-02-4, can be called Spiro[1aH,5aH-nortropane-8,1'-pyrrolidinium], 3a-hydroxy-, chloride, benzilate(8CI) ; Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium],3-[(hydroxydiphenylacetyl)oxy]-, chloride, (1a,3b,5a)- (9CI) ; Benzilic acid, esterwith 3a-hydroxyspiro[1aH,5aH-nortropane-8,1'-pyrrolidinium] chloride (8CI) ; Azoniaspiro(3a-benziloyloxynortropane-8,1'-pyrrolidine) chloride . It is a white to off-white crystalline solid, Trospium chloride (CAS NO.10405-02-4) is used as tropine derivative with anticholinergic activity,antispasmodic used in treatment of urinary incontinence.

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