OTS

4-(2S-AMINO-1-HYDROXYETHYL)PHENOL

Created:	2003-11-12
Last modified:	2021-03-01

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6 entries where OTS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of OTS

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Chemical Component Summary
Name	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL
Synonyms	S-OCTOPAMINE
Systematic Name (OpenEye OEToolkits)	4-[(1S)-2-amino-1-hydroxy-ethyl]phenol
Formula	C₈ H₁₁ N O₂
Molecular Weight	153.178
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(c1ccc(O)cc1)CN
SMILES	CACTVS	3.341	NC[CH](O)c1ccc(O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(CN)O)O
Canonical SMILES	CACTVS	3.341	NC[C@@H](O)c1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[C@@H](CN)O)O
InChI	InChI	1.03	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1
InChIKey	InChI	1.03	QHGUCRYDKWKLMG-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	448337
ChEBI	CHEBI:44808
CCDC/CSD	ATOLOL, ATOLEB
COD	1513049

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