Olanzapine Pamoate

Synopsis, Chemistry

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Also known as:

Molecular Formula

C₄₀H₃₈N₄O₇S

Molecular Weight

718.8 g/mol

InChI Key

IZXGHRZKSNKYIY-UHFFFAOYSA-N

1 2D Structure

Olanzapine Pamoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine;hydrate

2.1.2 InChI

InChI=1S/C23H16O6.C17H20N4S.H2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6,11,18H,7-10H2,1-2H3;1H2

2.1.3 InChI Key

IZXGHRZKSNKYIY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.O

2.1.5 Isomeric SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.O

2.2 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₄₀H₃₈N₄O₇S
Molecular Weight	718.8 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	718.24612074 g/mol
Monoisotopic Mass	718.24612074 g/mol
Topological Polar Surface Area	172 A^2
Heavy Atom Count	52
Formal Charge	0
Complexity	1110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Zyprexa relprevv
Active Ingredient	Olanzapine pamoate
Dosage Form	Suspension, extended release
Route	Intramuscular
Strength	eq 300mg base/vial; eq 210mg base/vial; eq 405mg base/vial
Market Status	Prescription
Company	Eli Lilly

2 of 2
Drug Name	Zyprexa relprevv
Active Ingredient	Olanzapine pamoate
Dosage Form	Suspension, extended release
Route	Intramuscular
Strength	eq 300mg base/vial; eq 210mg base/vial; eq 405mg base/vial
Market Status	Prescription
Company	Eli Lilly