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Chemistry

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Also known as:
Molecular Formula
C21H26N4O6S
Molecular Weight
462.5  g/mol
InChI Key
GJVHPCVKEVQIDC-LREBCSMRSA-N

Olanzapine Tartrate
1 2D Structure

Olanzapine Tartrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine
2.1.2 InChI
InChI=1S/C17H20N4S.C4H6O6/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;5-1(3(7)8)2(6)4(9)10/h3-6,11,18H,7-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
2.1.3 InChI Key
GJVHPCVKEVQIDC-LREBCSMRSA-N
2.1.4 Canonical SMILES
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.C(C(C(=O)O)O)(C(=O)O)O
2.1.5 Isomeric SMILES
CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
2.2 Create Date
2014-03-31
3 Chemical and Physical Properties
Molecular Weight 462.5 g/mol
Molecular Formula C21H26N4O6S
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass462.15730574 g/mol
Monoisotopic Mass462.15730574 g/mol
Topological Polar Surface Area171 A^2
Heavy Atom Count32
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API SUPPLIERS

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