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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

2 NDC API

2 NDC API

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1 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol, Cellulose gel, Schembl825024, Chebi:167997, Q80294

Molecular Formula

C₁₄H₂₆O₁₁

Molecular Weight

370.35 g/mol

InChI Key

PTHCMJGKKRQCBF-UHFFFAOYSA-N

1 2D Structure

Cellulose Gel

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

2.1.2 InChI

InChI=1S/C14H26O11/c1-21-11-5(3-15)24-14(10(20)7(11)17)25-12-6(4-16)23-13(22-2)9(19)8(12)18/h5-20H,3-4H2,1-2H3

2.1.3 InChI Key

PTHCMJGKKRQCBF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)OC)CO)CO

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Avicel Ph-101

2. Cephere

3. Ethispheres250

4. Microcrystalline Cellulose

5. Pharmacel 101

2.2.2 Depositor-Supplied Synonyms

1. 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

2. Cellulose Gel

3. Schembl825024

4. Chebi:167997

5. Q80294

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₆O₁₁
Molecular Weight	370.35 g/mol
XLogP3	-4.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	370.14751164 g/mol
Monoisotopic Mass	370.14751164 g/mol
Topological Polar Surface Area	168 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	410
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Excipients

Usually inert substances added to a prescription in order to provide suitable consistency to the dosage form. These include binders, matrix, base or diluent in pills, tablets, creams, salves, etc. (See all compounds classified as Excipients.)

NDC API