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Teopranitol

CAT: 0926-GDA79235-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GDA79235-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81792-35-0
Smiles
CN1C2=C (C (=O) N (C1=O) C) N (C=N2) CCCNC3COC4C3OCC4O[N+] (=O) [O-]
Molecular Formula
C16H22N6O7
Molecular Weight
410.38 g/mol
Controlled
No

Chemical Information

Teopranitol

Teopranitol is a small molecule drug. Teopranitol has a monoisotopic molecular weight of 410.15 Da.

CAS Number81792-35-0
PubChem CID3034007
IUPAC Name[(3S,3aR,6S,6aS)-3-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular FormulaC16H22N6O7
Molecular Weight410.38
XLogP-0.8
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity675
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]
InChI
InChI=1S/C16H22N6O7/c1-19-14-11(15(23)20(2)16(19)24)21(8-18-14)5-3-4-17-9-6-27-13-10(29-22(25)26)7-28-12(9)13/h8-10,12-13,17H,3-7H2,1-2H3/t9-,10-,12+,13+/m0/s1
InChIKey
XTEGRRHNMFDROI-YRRQLQLVSA-N
Chemical Structure
2D Structure
2D structure of Teopranitol
CAS: 81792-35-0
CID: 3034007
Formula: C16H22N6O7
MW: 410.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.38
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass410.15499706
Monoisotopic Mass410.15499706
Topological Polar Surface Area144 Ų
Heavy Atom Count29
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T87502-01Teopranitol
TRC-T795174-25MGTeopranitol-d6

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