Drotebanol

Name: Drotebanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₇NO₄ — CID 5463863

💊View drug profile → drotebanol

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R,9R,10S,13R)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol

SMILESCOc1ccc2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@@H](O)C3

InChIInChI=1S/C19H27NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,13,15,21-22H,6-11H2,1-3H3/t13-,15-,18-,19-/m1/s1

InChIKeyLCAHPIFLPICNRW-SVYNMNNPSA-N

MW333.43 g/mol

LogP1.48

Rot. Bonds2

About Drotebanol

Drotebanol (PubChem CID 5463863) has the molecular formula C₁₉H₂₇NO₄ and a molecular weight of 333.43 g/mol. Its IUPAC name is (1R,9R,10S,13R)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol.

Molecular Properties

Compound Name	Drotebanol
PubChem CID	5463863
Molecular Formula	C₁₉H₂₇NO₄
Molecular Weight	333.43 g/mol
Exact Mass	333.19
IUPAC Name	(1R,9R,10S,13R)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol
SMILES	COc1ccc2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@@H](O)C3
InChI	InChI=1S/C19H27NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,13,15,21-22H,6-11H2,1-3H3/t13-,15-,18-,19-/m1/s1
InChIKey	LCAHPIFLPICNRW-SVYNMNNPSA-N
XLogP	1.48
TPSA	62.16 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.43
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Drotebanol?

The IUPAC name of Drotebanol (CID 5463863) is (1R,9R,10S,13R)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol.

What is the SMILES notation for Drotebanol?

The canonical SMILES for Drotebanol is COc1ccc2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@@H](O)C3.

What is the InChIKey of Drotebanol?

The InChIKey is LCAHPIFLPICNRW-SVYNMNNPSA-N. The full InChI is InChI=1S/C19H27NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,13,15,21-22H,6-11H2,1-3H3/t13-,15-,18-,19-/m1/s1.

What are the key properties of Drotebanol?

Drotebanol has a molecular weight of 333.43 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Drotebanol is sourced from PubChem (CID 5463863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: D · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5463863 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 3168 — approved-drug record (CC BY-SA 4.0)

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