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Basic Information
CAS No.: 20123-80-2
Name: Calcium dobesilate
Article Data: 1
Molecular Structure:
Molecular Structure of 20123-80-2 (Calcium dobesilate)
Formula: C12H10Ca2O10S2
Molecular Weight: 418.415
Synonyms: 2,5-Dihydroxybenzenesulfonicacid calcium salt;Calcium 2,5-dihydroxybenzenesulfonate;Calciumbis(2,5-dihydroxybenzenesulfonate);Calcium Doxybensylate;benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (2:1);
EINECS: 243-531-5
Melting Point: >300° (dec)
Appearance: white or almost powder
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 212.08000
LogP: 2.16540
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Chemistry

Molecular Structure of Calcium dobesilate (CAS NO.20123-80-2):

IUPAC Name: calcium 2,5-dihydroxybenzenesulfonate 
Empirical Formula: C12H10Ca2O10S2
Molecular Weight: 418.4098
ACD/LogP: -1.35
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -4.85
ACD/LogD (pH 7.4): -4.85
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 3
Polar Surface Area: 81.21Å2
EINECS: 243-531-5
Classification Code:Coagulants ; Drug / Therapeutic Agent ; Hematologic Agents ; Hemostatics
Synonyms of Calcium dobesilate (CAS NO.20123-80-2): benzenesulfonic acid, 2,5-dihydroxy-, calcium salt (2:1) ; Calcium bis(2,5-dihydroxybenzenesulfonate) ; Calcium Doxybensylate ; 2,5-Dihydroxybenzenesulfonic acid calcium salt

Toxicity Data With Reference

guinea pig LD50 oral 4979mg/kg (4979mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT		 Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994.
mouse LD50 intraperitoneal 876mg/kg (876mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT		 Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994.
mouse LD50 intravenous 775mg/kg (775mg/kg)   Annales Pharmaceutiques Francaises. Vol. 30, Pg. 415, 1972.
mouse LD50 oral 7549mg/kg (7549mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT		 Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994.
mouse LD50 unreported 700mg/kg (700mg/kg)   United States Patent Document. Vol. #3509207,
rat LD50 intravenous 750mg/kg (750mg/kg)   United States Patent Document. Vol. #4513007,
rat LD50 oral 7061mg/kg (7061mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT		 Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994.

Safety Profile

Moderately toxic by intravenous route. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx. See also SULFONATES and CALCIUM COMPOUNDS.

Specification

 Calcium dobesilate (CAS NO.20123-80-2) is a white crystalline powder, as a nutritional medicine for microvascular.