4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one;1-(dimethylamino)propan-2-ol

Basic Information

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CAS Number

36703-88-5

Molecular Formula

C52H78N10O17

Molecular Weight

1115.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

140-145°C

Boiling Point

732.8 °C at 760 mmHg

Flash Point

397 °C

Vapor Pressure

No data available

SMILES

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CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O

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

InChIKey

YLDCUKJMEKGGFI-QCSRICIXSA-N

LogP

1.76610

Complexity

658

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in mice and rats (mg/kg): >4000 orally and i.p. (Gordon)

Synonyms & References

English

NTP 10381
CHEMBL3833327
Inosine Acedobene Dimepranol
Isoprinosine
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
W1SO0V223F
EINECS 253-162-1
Pranosina
Methisoprinol
Isoprinosine (TN)
s5016
NPT-10381
A874300
Inosine, compound with (2-hydroxypropyl)dimethylammonium p-acetamidobenzoate (1:3)
p-Acetamidobenzoic salt of N,N-dimethylamino-2-propanol & inosine (3:1)
INOSINE PRANOBEX
I1037
HY-107801
C74892
IAD
Isoprinosina
Pranosine
4-acetamidobenzoic acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one; 1-(dimethylamino)propan-2-ol
Viruxan
Isoprinosin
NP-113
INOSINE PRANOBEX [JAN]
Inosine pranobex (JAN)
AS-12319
UNII-W1SO0V223F
Imunovir

MDL Number

MFCD05662374

FAQ

What is 4-acetamidobenzoic acid (CAS: 36703-88-5)?

4-Acetamidobenzoic acid (CAS: 36703-88-5) is a chemical compound with the molecular formula C10H11NO3. It is a white crystalline solid that is slightly soluble in water and has a characteristic aromatic odor. This compound is known for its use in organic synthesis and as a building block for pharmaceutical and industrial applications.

What are the main uses of 4-acetamidobenzoic acid (CAS: 36703-88-5)?

4-Acetamidobenzoic acid (CAS: 36703-88-5) is primarily used in pharmaceutical research for the development of drugs targeting metabolic disorders. It also finds applications in the synthesis of various organic compounds, including intermediates in the production of agrochemicals and specialty chemicals. Its versatility makes it a valuable compound in research and industrial settings.

Is 4-acetamidobenzoic acid (CAS: 36703-88-5) safe?

4-Acetamidobenzoic acid (CAS: 36703-88-5) is generally considered safe when handled properly. However, it may cause mild irritation to the skin and eyes. Protective measures such as gloves and safety goggles are recommended during handling. It should be stored in a secure location away from incompatible materials and in compliance with standard chemical safety regulations.

How should 4-acetamidobenzoic acid (CAS: 36703-88-5) be stored?

4-Acetamidobenzoic acid (CAS: 36703-88-5) should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and low humidity to ensure stability and prolong shelf life.