Drug Information

Drug General Information

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Drug ID

D0V4EK

Former ID

DNC002592

Drug Name

1-Hydroxy-3-Methylbutane

Synonyms

3-Methyl-1-butanol; Isoamyl alcohol; Isopentyl alcohol; 3-Methylbutan-1-ol; Isopentanol; 123-51-3; 3-Methylbutanol; 1-Butanol, 3-methyl-; Isoamylol; Isobutylcarbinol; Fusel Oil; Iso-amylalkohol; Isobutyl carbinol; Iso-amyl alcohol; 2-Methyl-4-butanol; ISOAMYLALCOHOL; Alcool isoamylique; Fermentation amyl alcohol; Isoamyl alkohol; Amylowy alkohol; Alcool amilico; i-Amyl Alcohol; Primary isoamyl alcohol; 3-Metil-butanolo; isopentan-1-ol; Isoamyl alcohol (natural); 1-Hydroxy-3-Methylbutane; Isoamyl alcohol, primary; FEMA Number 2057

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Drug Type

Small molecular drug

Indication

Discovery agent [ICD-11: N.A.]

Investigative

[1]

Structure

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2D MOL

3D MOL

Formula

C5H12O

Canonical SMILES

CC(C)CCO

InChI

1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

InChIKey

PHTQWCKDNZKARW-UHFFFAOYSA-N

CAS Number

CAS 123-51-3

PubChem Compound ID

31260

PubChem Substance ID

9536, 67892, 73669, 587846, 833387, 3133855, 6469052, 7888442, 8145111, 8172054, 10505955, 12055765, 15170401, 24858731, 24859238, 24881302, 24881303, 24881304, 24896157, 24896825, 24900824, 24900825, 30055048, 30947163, 32629809, 34673415, 37369951, 41862854, 46508883, 49856709, 50217689, 56369561, 57311128, 57389782, 57648492, 57651669, 57651670, 85087036, 85087037, 85087038, 85291503, 87571649, 88836087, 93617923, 103647446, 104310414, 104667162, 113384773, 117367647, 117619702

ChEBI ID

CHEBI:15837

Target and Pathway

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Target(s)

Angiotensinogenase renin (REN)

Target Info

Inhibitor

[1]

KEGG Pathway

Renin-angiotensin system

Pathwhiz Pathway