Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5401)
Drug Name
Divalproex sodium
Synonyms
Delepsine; Depakote; Divalproate; Divalproex; Epilex; Epival; Sprinkle; Valcote; Valdisoval; Valparin; Depakote CP; Depakote ER; Depakote Sprinkle; Divalproex sodium [USAN]; Sodium divalproate; Sodium hydrogen divalproate; Valproate semisodique; Valproate semisodique [French]; Valproate semisodium; Valproato semisodico; Valproato semisodico [Spanish]; Valproatum seminatricum; Valproatum seminatricum [Latin]; Abbott 50711; Abbott-50711; Depacon (TN); Depakote (TN); Depakote ER (TN); Divalproex sodium (USP); Epival (TN); Ergenyl Chrono (TN); Valance (TN); Valproate semisodium (INN); Divalproex sodium, Depakote, Epival; Natrium hydrogen bis(2-propylvalerat); Sodium hydrogen bis(2-propylpentanoate); Sodium hydrogen bis(2-propylvalerate); Valproic acid semisodium salt (2:1); Zalkote. (TN); Sodium hydrogen bis(2-propylvalerate), oligomer; Sodium 2-propylpentanoate-2-propylpentanoic acid (1:1); Pentanoic acid, 2-propyl-, sodium salt (2:1); Pentanoic acid, 2-propyl-, sodium salt(2:1); 2-propylpentanoate
Indication Seizure disorder [ICD11: 8A61-8A6Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 310.4 Topological Polar Surface Area 77.4
Heavy Atom Count 21 Rotatable Bond Count 10
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
23663956
ChEBI ID
CHEBI:4667
CAS Number
76584-70-8
TTD Drug ID
D03LGY
Formula
C16H31NaO4
Canonical SMILES
CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]
InChI
InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1
InChIKey
MSRILKIQRXUYCT-UHFFFAOYSA-M
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
(3E)-2-Propylpent-3-enoic acid DM002450
6439747
Unclear - Unclear 1 [2]
(3Z)-2-Propylpent-3-enoic acid DM002449
24892812
Unclear - Unclear 1 [2]
2-ene-VPA DM002447
6437068
Unclear - Unclear 1 [2]
3-OH-VPA DM002445
134459
Unclear - Unclear 1 [2]
4-ene-VPA DM002441
104896
Unclear - Unclear 1 [2]
4-OH-VPA DM002438
134467
Unclear - Unclear 1 [2]
5-OH-VPA DM002443
135244
Unclear - Unclear 1 [2]
VPA beta-O-glucuronide DM018511 N. A. Unclear - Unclear 1 [2]
2,4-Diene-VPA DM002442
6441809
Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010552 Divalproex sodium 2-ene-VPA Unclear - Unclear Unclear [2]
MR010554 Divalproex sodium 4-ene-VPA Unclear - Unclear CYP2B6 ... [2]
MR010556 Divalproex sodium 5-OH-VPA Unclear - Unclear CYP3A [2]
MR010557 Divalproex sodium 3-OH-VPA Unclear - Unclear CYP3A [2]
MR010558 Divalproex sodium 4-OH-VPA Unclear - Unclear CYP3A [2]
MR010559 Divalproex sodium (3E)-2-propylpent-3-enoic acid Unclear - Unclear Unclear [2]
MR010560 Divalproex sodium (3Z)-2-propylpent-3-enoic acid Unclear - Unclear CYP3A [2]
MR010561 Divalproex sodium VPA beta-O-glucuronide Unclear - Unclear UGT [2]
MR010553 2-ene-VPA 2,4-diene-VPA Unclear - Unclear Unclear [2]
MR010555 4-ene-VPA 2,4-diene-VPA Unclear - Unclear Unclear [2]
⏷ Show the Full List of 10 MR(s)
References
1 FDA approved drugs (1996) in CenterWatch
2 Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.

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