Details of the Drug

General Information of Drug (ID: DMGKV9D)

• Drug Name: Hydroxocobalamin
• Synonyms: AlphaRedisol; Axion; Axlon; Cobalex; Codroxomin; Cyanokit; Depogamma; Docclan; Docelan; Docelvita; Docevita; Duradoce; Hidroxocobalamina; Hydrobamine; Hydrocobalamin; Hydrogrisevit; Hydrovit; Hydroxocobalaminacetat; Hydroxocobalamine; Hydroxocobalaminum; Hydroxocobemine; Hydroxomin; Hydroxycobalamin; Hydroxycobalamine; Hyxobamine; Idrogrisevit; Idrossocobalamina; Oxobemin; Vibeden; Vitadurin; Alpha Cobione; Ciplamin H; Hydro Cobex; Hydroxocobalamin acetate; Hydroxocobalamin monohydrochloride; Hydroxy Cobal; Idrossocobalamina [DCIT]; Primabalt RP; Hydroxocobalamin Vitamin B12; Hydroxy vitamin B12; Ohb12; Vitamin B12a; Vitamin B12b; Acti-B12; AlphaRedisol (TN); Benzimidazolyl ribofuranosyl phosphate deriv.; Cyanokit (TN); Ducobee-Hy; Duralta-12; Hidroxocobalamina [INN-Spanish]; Hydroxocobalamine [INN-French]; Hydroxocobalaminum [INN-Latin]; Hydroxycob(lll)alamin; Lyovit-H; Neo-Betalin 12; Neo-cytamen; Neo-macrabin; Neo-rojamin; OH-Cbl; OH-Duphar; Oxolamine (arcum); Redisol-H; Sytobex-H; Vitamin B(sub 12a); Vitamin B-12b; Hydroxocobalamin (JAN/USP/INN); Hydroxocobalamin [USAN:INN:BAN:JAN]; Alpha-(5,6-Dimethylbenzimidazolyl)hydroxocobamide; Hydroxocobalamin(alkaline soln.), OH-replaces CN-in Cyanocobalamin); Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-hydroxocobamide; Cobinamide hydroxide phosphate 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole inner salt; Cobinamide dihydroxide dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole; Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono (inner salt), 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole; Cobinamide, hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole; Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole; Cobinamide, Co-hydroxy-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3); Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)

Indication

Disease Entry	ICD 11	Status	REF
Cerebral edema	8D60.1	Approved	[1]
Lung cancer	2C25.0	Approved	[1]
Vitamin B12 deficiency	5B5F	Approved	[2]
Lung injury	NB32.3Z	Phase 2	[3]
Pernicious anemia	N.A.	Investigative	[1]

• Therapeutic Class: Vitamins
• Affected Organisms: Humans and other mammals
• ATC Code:
  B03BA03: Hydroxocobalamin
  B03BA: Vitamin B12 (cyanocobalamin and analogues)
  B03B: VITAMIN B12 AND FOLIC ACID
  B03: ANTIANEMIC PREPARATIONS
  B: BLOOD AND BLOOD FORMING ORGANS
  V03AB33: Hydroxocobalamin
  V03AB: Antidotes
  V03A: ALL OTHER THERAPEUTIC PRODUCTS
  V03: ALL OTHER THERAPEUTIC PRODUCTS
  V: VARIOUS
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 1347.4
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 26
  Hydrogen Bond Donor Count; 10
  Hydrogen Bond Acceptor Count; 20
• ADMET Property:
  Half-life: The concentration or amount of drug in body reduced by one-half in 6 days [4]
  Metabolism: The drug is metabolized via the hepatic []
• Chemical Identifiers:
  Formula: C62H90CoN13O15P
  IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate;hydrate
  Canonical SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\\7/[C@@]([C@@H](C(=N7)/C=C\\8/C([C@@H](C(=N8)/C(=C4\\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2]
  InChI: InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
  InChIKey: DQOCFCZRZOAIBN-WZHZPDAFSA-L
• Cross-matching ID:
  PubChem CID: 70689311
  CAS Number: 13422-51-0
  UNII: Q40X8H422O
  DrugBank ID: DB00200
  TTD ID: D0VF4H
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Methylmalonyl-CoA mutase (MMUT)	TTCQ21Y	MUTA_HUMAN	Cofactor	[5]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Hydroxocobalamin (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Arsenic trioxide	DM61TA4	Moderate	Increased risk of ventricular arrhythmias by the combination of Hydroxocobalamin and Arsenic trioxide.	Mature B-cell lymphoma [2A85]	[6]

References

• [1] Hydroxocobalamin FDA Label
• [2] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 085998.
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [4] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [5] Vitamin B12. Nippon Rinsho. 1999 Oct;57(10):2205-10.
• [6] Product Information. Hydro-Cobex (hydroxocobalamin). Major Pharmaceuticals Inc, Rosemont, IL.