CAU

(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol

Created:	2007-10-10
Last modified:	2020-06-05

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12 entries where CAU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	15

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Chemical Component Summary
Name	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
Synonyms	(S)-Carazolol
Systematic Name (OpenEye OEToolkits)	(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Formula	C₁₈ H₂₂ N₂ O₂
Molecular Weight	298.379
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2
SMILES	CACTVS	3.341	CC(C)NC[CH](O)COc1cccc2[nH]c3ccccc3c12
SMILES	OpenEye OEToolkits	1.5.0	CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O
Canonical SMILES	CACTVS	3.341	CC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O
InChI	InChI	1.03	InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1
InChIKey	InChI	1.03	BQXQGZPYHWWCEB-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank ID	DB07543
Name	(S)-carazolol
Groups	experimental
Synonyms	(-)-Carazolol (S)-carazolol
CAS number	78859-33-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lysozyme	MNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...	unknown
Beta-2 adrenergic receptor	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFG...	unknown

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