IPA

ISOPROPYL ALCOHOL

Created:	1999-07-08
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

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Chemical Component Summary
Name	ISOPROPYL ALCOHOL
Synonyms	2-PROPANOL
Systematic Name (OpenEye OEToolkits)	propan-2-ol
Formula	C₃ H₈ O
Molecular Weight	60.095
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	OC(C)C
SMILES	CACTVS	3.352	CC(C)O
SMILES	OpenEye OEToolkits	1.7.0	CC(C)O
Canonical SMILES	CACTVS	3.352	CC(C)O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)O
InChI	InChI	1.03	InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey	InChI	1.03	KFZMGEQAYNKOFK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02325
Name	Isopropyl alcohol
Groups	approved investigational
Description	An isomer of 1-propanol. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.
Synonyms	Isopropyl alcohol Alcohol isopropílico Isopropanol 2-Propanol
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Categories	Alcohols Antiseptics and Disinfectants Compounds used in a research, industrial, or household setting Dermatologicals Miscellaneous Local Anti-infectives Propanols Solvents Tumor Necrosis Factor Blockers
ATC-Code	D08AX05
CAS number	67-63-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase 3	MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...	unknown	inhibitor
Oxysterols receptor LXR-beta	MSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTD...	unknown	inhibitor
Heme oxygenase 1	MERPQPDSMPQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLV...	unknown	inhibitor
GTP cyclohydrolase 1	MEKGPVRAPAEKPRGARCSNGFPERDPPRPGPSRPAEKPPRPEAKSAQPA...	unknown	inhibitor
Phospholipase A2, membrane associated	MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGV...	unknown	inhibitor
Tumor necrosis factor	MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCL...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	3776
ChEMBL	CHEMBL582
ChEBI	CHEBI:17824
CCDC/CSD	ASULAD, BEPGOU, BAYJIX, BANROZ, AVEPEX, AVEPUN, BIMQIA, BOXVIU, BUDBUY, ABALEV, AJALAA, AHIJOS, ABITUC01, ABECIW, BUFHAN, BIVFAN, BIVFAN10, ANUTEK, CEPTAV, BUXQUI, BAJCEX, CAMDOJ, CIBLOQ, AXUJAE, COCGEG, CEXBAJ, CESVUU, AMIMCA, AYIXAH, ARAPAN
COD	7216778, 7217593