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Tipentosin

CAT: 0931-T202116-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202116-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95588-08-2
Bioactivity
Tipentosin, a derivative of prazosin, acts as an angiotensin-converting enzyme inhibitor. This compound was developed for its blood pressure-lowering properties.
Smiles
O=C1C2=C(CCC1CN[C@H]3[C@@H](O)[C@H](OC4=CC=CC=C4)CC3)SC(C)=C2
Molecular Formula
C21H25NO3S
Molecular Weight
371.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tipentosin
CAS Number95588-08-2
PubChem CID126282
IUPAC Name5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
Molecular FormulaC21H25NO3S
Molecular Weight371.5
XLogP3.4
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity496
SMILES
CC1=CC2=C(S1)CCC(C2=O)CN[C@H]3CC[C@@H]([C@H]3O)OC4=CC=CC=C4
InChI
InChI=1S/C21H25NO3S/c1-13-11-16-19(26-13)10-7-14(20(16)23)12-22-17-8-9-18(21(17)24)25-15-5-3-2-4-6-15/h2-6,11,14,17-18,21-22,24H,7-10,12H2,1H3/t14?,17-,18-,21-/m0/s1
InChIKey
IMKMRGOTDDUQHF-MAHSACTOSA-N
Chemical Structure
2D Structure
2D structure of Tipentosin
CAS: 95588-08-2
CID: 126282
Formula: C21H25NO3S
MW: 371.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass371.15551483
Monoisotopic Mass371.15551483
Topological Polar Surface Area86.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19242438-01Tipentosin

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