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(S) -4-Hydroxy mephenytoin

CAT: 0024-sc-471498BSize: 2 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-471498BSize:2 mg
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CAS Number
82695-93-0

Chemical Information

4-Hydroxymephenytoin, (S)-

4'-hydroxymephenytoin is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

CAS Number82695-93-0
PubChem CID40572060
IUPAC Name(5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
Molecular FormulaC12H14N2O3
Molecular Weight234.25
XLogP1.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity337
SMILES
CC[C@@]1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/t12-/m0/s1
InChIKey
OQPLORUDZLXXPD-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxymephenytoin, (S)-
CAS: 82695-93-0
CID: 40572060
Formula: C12H14N2O3
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass234.10044231
Monoisotopic Mass234.10044231
Topological Polar Surface Area69.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RG-A260427-014-Hydroxy Mephenytoin
279135-01(+/-) -4-Hydroxy mephenytoin
TRC-H944875-10MG(+/-)-4-Hydroxy Mephenytoin
CS-T-56128(+/-) -4-Hydroxy Mephenytoin-d3
279136-01S-4-Hydroxy mephenytoin
RM-M052502-01(S) -4-Hydroxy Mephenytoin
MBS6105921-01(S)-4-Hydroxy Mephenytoin
TRC-H944877-2.5MG(+/-)-4-Hydroxy Mephenytoin-d3
AR-M01378-014-Hydroxy Mephenytoin-d3
C9095-15G1CYP2C8 (S-mephenytoin 4-hydroxylase, Cytochrome P450 IIC2, P450 Cytochrome MP-12/MP-20, Cytochrome P450 Form 1, CYPIIC8, Cytochrome P450 2C8) discontinued

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