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36703-88-5

Basic Information
CAS No.: 36703-88-5
Name: Isoprinosine
Molecular Structure:
Molecular Structure of 36703-88-5 (Isoprinosine)
Formula: C10H12N4O5.3(C9H9NO3).3(C5H13NO)
Molecular Weight: 1115.23
Synonyms: 4-acetamidobenzoic acid; 9-[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 1-dimethylaminopropan-2-ol;IPS;Delimmun;Inosine-2-hydroxypropyldimethylammonium 4-acetamidobenzoate (1:3);Viruxan;NPT 10381;INPX;Aviral;Isoprinosina;Inosine, compound with (2-hydroxypropyl)dimethylammonium p-acetamidobenzoate (1:3);Inosine,compd. with 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (salt) (1:3);Inosine pranobex [BAN:JAN];Inosine, mono[4-(acetylamino)benzoate] (salt), compd with 1- (Dimethylamino)-2-propanol (1:3);Methisoprinol;Inosine pranobex (JAN);Inosine pranobex;NTP 10381;Isoprinosin;p-Acetamidobenzoic salt of N,N-dimethylamino-2-propanol & inosine (3:1);Inosine & 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (salt) (1:3);NP 113;4-acetamidobenzoic acid; 9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 1-dimethylaminopropan-2-ol;Inosine, compd. with 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (salt) (1:3);Isoviral;Isoprinosine (TN);Inosiplex;Immunovir;Imunovir;
EINECS: 253-162-1
Density: N/A
Melting Point: N/A
Boiling Point: 732.8 °C at 760 mmHg
Flash Point: 397 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 403.10000
LogP: 1.76610
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Specification

The Isoprinosine is an organic compound with the formula C10H12N4O5.3(C9H9NO3).3(C5H13NO). The IUPAC name of this chemical is 4-acetamidobenzoic acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 1-(dimethylamino)propan-2-ol. With the CAS registry number 36703-88-5, it is also named as Inosine-2-hydroxypropyldimethylammonium 4-acetamidobenzoate (1:3). The product's classification codes are Adjuvants, immunologic; Anti-Infective Agents; Antiretroviral; Antiviral; Antiviral agents; Immunologic Factors; Immunomodulator; Immunostimulant. Besides, it is used as an antiviral drug. It acts as a powerful immunostimulant. It is most commonly used to treat the rare measles complication subacute sclerosing panencephalitis in conjunction with intrathecal interferon therapy, with promising results.

Physical properties about Isoprinosine are: (1)ACD/LogP: -2.32; (2)ACD/LogD (pH 5.5): -2.32; (3)ACD/LogD (pH 7.4): -2.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.29; (7)ACD/KOC (pH 7.4): 1.3; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 87.41 Å2; (12)Flash Point: 397 °C; (13)Enthalpy of Vaporization: 112.25 kJ/mol; (14)Boiling Point: 732.8 °C at 760 mmHg; (15)Vapour Pressure: 1.52E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(NC(=O)C)cc1.O=C(O)c1ccc(NC(=O)C)cc1.O=C(O)c1ccc(NC(=O)C)cc1.O=C3/N=C\Nc1c3ncn1[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO.OC(C)CN(C)C.OC(C)CN(C)C.OC(C)CN(C)C
(2)InChI: InChI=1/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;;;/m1....../s1
(3)InChIKey: YLDCUKJMEKGGFI-QCSRICIXBM
(4)Std.InChI: InChI=1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;;;/m1....../s1
(5)Std. InChIKey: YLDCUKJMEKGGFI-QCSRICIXSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2300mg/kg (2300mg/kg)   Drugs in Japan Vol. -, Pg. 124, 1990.
mouse LD50 intravenous 1570mg/kg (1570mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
mouse LD50 oral 9410mg/kg (9410mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
mouse LD50 subcutaneous 2960mg/kg (2960mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
rat LD50 intraperitoneal 2960mg/kg (2960mg/kg)   Drugs in Japan Vol. -, Pg. 124, 1990.
rat LD50 intravenous 1970mg/kg (1970mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
rat LD50 oral 9150mg/kg (9150mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
rat LD50 subcutaneous 3460mg/kg (3460mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.

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