EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9N7R477WCK

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9N7R477WCK


InChI Key	TVYLLZQTGLZFBW-HOCLYGCPSA-N
Smiles	[Cl-].COc1cccc(c1)[C@@]2(O)CCCC[C@H]2CN(C)C.[H+]
InChI	InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16-/m0/s1

InChI Key

TVYLLZQTGLZFBW-HOCLYGCPSA-N

Smiles

[Cl-].COc1cccc(c1)[C@@]2(O)CCCC[C@H]2CN(C)C.[H+]

InChI

InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16-/m0/s1

Property Name	Value
Molecular Formula	C16H25N1O2
Molecular Weight	263.19
AlogP	2.63
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	32.7
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H25N1O2

Molecular Weight

263.19

AlogP

2.63

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

32.7

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	73806-49-2
NORMAN SUSDAT
FDA SRS	9N7R477WCK

Resources

Reference

CAS NUMBER

73806-49-2

NORMAN SUSDAT

FDA SRS

9N7R477WCK

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

TRAMADOL HCL

Structure

Physicochemical Descriptors

Cross References