ID: ALA802

Max Phase: Approved

First Approval: 1979

Molecular Formula: C9H15N5O

Molecular Weight: 209.25

Molecule Type: Small molecule

Representations

Synonyms (12): Alopexil | Alostil | Minoxidil | Minoximen | Mintop | Normoxidil | Pierminox | Prexidil | Tricoxidil | NSC-757106 | U-10,858 | U-10858
Synonyms from Alternative Forms(12):

Trade Names(15): Loniten | Lonolox | Men's rogaine | Minodyl | Minoxidil | Minoxidil (for men) | Minoxidil (for women) | Minoxidil extra strength (for men) | Regaine for men | Regaine for women | Rogaine (for men) | Rogaine (for women) | Rogaine extra strength (for men) | Theroxidil | Women's rogaine

Canonical SMILES:  Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]

Standard InChI:  InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)

Standard InChI Key:  ZFMITUMMTDLWHR-UHFFFAOYSA-N

Molecule Features

Natural Product: Yes

Oral: Yes

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: Yes

First In Class: No

Black Box: Yes

Chirality: Yes

Availability: Yes

Prodrug: Yes

Properties

Molecular Weight: 209.25

Molecular Weight (Monoisotopic): 209.1277

AlogP: -0.13

#Rotatable Bonds: 1

Polar Surface Area: 95.11

Molecular Species: NEUTRAL

HBA: 5

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 6

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 1.69

CX LogP: 0.00

CX LogD: 0.00

Aromatic Rings: 1

Heavy Atoms: 15

QED Weighted: 0.50

Np Likeness Score: -1.22

References

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Source

Source(12):

• Scientific Literature
• PubChem BioAssays
• Clinical Candidates
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• USP Dictionary of USAN and International Drug Names
• DrugMatrix
• AstraZeneca Deposited Data
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