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]
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Therapeutic Class

Vitamins

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
4

Molecular Weight

1347.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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
DrugBank ID: DB00200
TTD ID: D0VF4H

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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]
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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.