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Ono-3805 sodium

CAT: 0931-T28249Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28249Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119347-91-0
Target
Others, Reductase
Related Pathways
Others, Endocrinology/Hormones, Metabolism
Bioactivity
Ono-3805 is an inhibitor of nonsteroidal 5 alpha-reductase.
Smiles
[Na].CC(C)Cc1ccc(cc1)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2OCCCC(O)=O)c(C)c1C
Molecular Formula
C31H37NNaO5
Molecular Weight
526.629
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

sodium;4-[2-[[2,3-dimethyl-4-[(1S)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]butanoate
CAS Number119347-91-0
PubChem CID23669816
IUPAC Namesodium 4-[2-[[2,3-dimethyl-4-[(1S)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]butanoate
Molecular FormulaC31H36NNaO5
Molecular Weight525.6
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity710
SMILES
CC1=C(C=CC(=C1C)O[C@@H](C)C2=CC=C(C=C2)CC(C)C)C(=O)NC3=CC=CC=C3OCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C31H37NO5.Na/c1-20(2)19-24-12-14-25(15-13-24)23(5)37-28-17-16-26(21(3)22(28)4)31(35)32-27-9-6-7-10-29(27)36-18-8-11-30(33)34;/h6-7,9-10,12-17,20,23H,8,11,18-19H2,1-5H3,(H,32,35)(H,33,34);/q;+1/p-1/t23-;/m0./s1
InChIKey
MCEJXPXIKHUFRY-BQAIUKQQSA-M
Chemical Structure
2D Structure
2D structure of sodium;4-[2-[[2,3-dimethyl-4-[(1S)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]butanoate
CAS: 119347-91-0
CID: 23669816
Formula: C31H36NNaO5
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass525.24911753
Monoisotopic Mass525.24911753
Topological Polar Surface Area87.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5777942Ono-3805 sodium
GTR19232893-01ONO-AE3-208 sodium
MBS3841426-01Sivelestat sodium hydrate (ONO-5046 sodium hydrate)
HY-50901A-01ONO-AE3-208 (sodium salt)
A16137-200Sivelestat sodium hydrate (ONO-5046 sodium hydrate) 200mg
A16137-100Sivelestat sodium hydrate (ONO-5046 sodium hydrate) 100mg
A16137-5Sivelestat sodium hydrate (ONO-5046 sodium hydrate) 5mg
A16137-25Sivelestat sodium hydrate (ONO-5046 sodium hydrate) 25mg
A16137-10mM-DSivelestat sodium hydrate (ONO-5046 sodium hydrate) 10mM * 1mL in DMSO
HY-19144ONO-3805

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