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(-) -Treprostinil

CAT: 1596-AR-T02868-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02868-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112421-28-0
Synonyms
2- (((1S,2S,3aR,9aR) -2-hydroxy-1- ((R) -3-hydroxyoctyl) -2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl) oxy) acetic acid
Molecular Formula
C23H34O5
Molecular Weight
390.52
API Name
Treprostinil

Chemical Information

Treprostinil Impurity 19
CAS Number112421-28-0
PubChem CID54786
IUPAC Name2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Molecular FormulaC23H34O5
Molecular Weight390.5
XLogP4.5
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity495
SMILES
CCCCC[C@H](CC[C@@H]1[C@H](C[C@@H]2[C@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O
InChI
InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m1/s1
InChIKey
PAJMKGZZBBTTOY-YRIDSSQKSA-N
Chemical Structure
2D Structure
2D structure of Treprostinil Impurity 19
CAS: 112421-28-0
CID: 54786
Formula: C23H34O5
MW: 390.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass390.24062418
Monoisotopic Mass390.24062418
Topological Polar Surface Area87 Ų
Heavy Atom Count28
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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