Methisoprinol

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CAS Number

36703-88-5

Synonyms

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

Purity

98%

Smiles

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=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Chemical Information

Inosine Pranobex

Inosine pranobex (Isoprinosine or Methisoprinol) is a combination of inosine, acetamidobenzoic acid, and dimethylaminoisopropanol used as an antiviral drug.

CAS Number	36703-88-5
PubChem CID	135449284
IUPAC Name	tris(4-acetamidobenzoic acid);9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;tris(1-(dimethylamino)propan-2-ol)
Molecular Formula	C52H78N10O17
Molecular Weight	1115.2
Topological Polar Surface Area	399
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	14
Heavy Atom Count	79
Formal Charge	0
Complexity	658

SMILES

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=CN2[C@H]3[C@@H]([C@@H]([C@H](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

Chemical Structure

2D Structure

CAS: 36703-88-5

CID: 135449284

Formula: C52H78N10O17

MW: 1115.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1115.2
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	14
Exact Mass	1114.55464106
Monoisotopic Mass	1114.55464106
Topological Polar Surface Area	399 Å²
Heavy Atom Count	79
Formal Charge	0
Complexity	658
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	7
Compound Is Canonicalized	Yes

Methisoprinol

Chemical Information

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