ISOPROPYL ALCOHOL


Trade Names	ZURAGARD
Synonyms	2-Propanol 2-propanol 2-propanolum Alcohol,isopropyl FEMA NO. 2929 IPA Isopropanol Isopropyl Alcohol Isopropyl alcohol Manugel Medi-swab Medi-swab h NSC-135801 Sterets Sterets h Swim-ear Zuragard
Status
Molecule Category	Free-form
UNII	ND2M416302
EPA CompTox	DTXSID7020762


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	KFZMGEQAYNKOFK-UHFFFAOYSA-N
Smiles	CC(C)O
InChI	InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H8O
Molecular Weight	60.1
AlogP	0.39
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	20.23
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	4.0

Cross References

Resources	Reference
ChEBI	17824
ChEMBL	CHEMBL582
DrugBank	DB02325
DrugCentral	4215
FDA SRS	ND2M416302
Human Metabolome Database	HMDB0000863
KEGG	C01845
PDB	IPA
PharmGKB	PA450117
PubChem	3776
SureChEMBL	SCHEMBL385
ZINC	ZINC000000901159

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).