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2D Structure
Also known as: Q409935
Molecular Formula
C20H40N3NaO10P
Molecular Weight
536.5  g/mol
InChI Key
HZXSQIHZPVCLDJ-LMOVPXPDSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C20H40N3O10P.Na/c1-29-13-15-31-19(25)22-11-7-5-9-17(23-20(26)32-16-14-30-2)18(24)21-10-6-4-8-12-33-34(3,27)28;/h17H,4-16H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28);/t17-;/m0./s1
2.1.2 InChI Key
HZXSQIHZPVCLDJ-LMOVPXPDSA-N
2.1.3 Canonical SMILES
COCCOC(=O)NCCCCC(C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC.[Na]
2.1.4 Isomeric SMILES
COCCOC(=O)NCCCC[C@@H](C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC.[Na]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Q409935

2.3 Create Date
2008-07-11
3 Chemical and Physical Properties
Molecular Weight 536.5 g/mol
Molecular Formula C20H40N3NaO10P
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Exact Mass536.23490076 g/mol
Monoisotopic Mass536.23490076 g/mol
Topological Polar Surface Area171 Ų
Heavy Atom Count35
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameMacugen
PubMed HealthPegaptanib (Injection)
Drug ClassesOphthalmologic Agent
Active IngredientPegaptanib sodium
Dosage FormInjectable
RouteIntravitreal
Strengtheq 0.3mg acid/0.09ml
Market StatusPrescription
CompanyValeant Pharms

2 of 2  
Drug NameMacugen
PubMed HealthPegaptanib (Injection)
Drug ClassesOphthalmologic Agent
Active IngredientPegaptanib sodium
Dosage FormInjectable
RouteIntravitreal
Strengtheq 0.3mg acid/0.09ml
Market StatusPrescription
CompanyValeant Pharms