TVO

(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol

Created:	2023-01-12
Last modified:	2023-05-24

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1 entries where TVO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	2
Bond Count	36
Aromatic Bond Count	6

2D diagram of TVO

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Chemical Component Summary
Name	(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol
Systematic Name (OpenEye OEToolkits)	(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol
Formula	C₁₃ H₁₈ N₂ O
Molecular Weight	218.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1CNC[CH]1N2CCc3ccccc3C2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CCN(C2)C3CNCC3O
Canonical SMILES	CACTVS	3.385	O[C@@H]1CNC[C@H]1N2CCc3ccccc3C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CCN(C2)[C@@H]3CNC[C@H]3O
InChI	InChI	1.06	InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2/t12-,13-/m1/s1
InChIKey	InChI	1.06	YOMLWJZQKDDDDV-CHWSQXEVSA-N

Related Resource References

Resource Name	Reference
PubChem	124674034

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