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Also known as: 2722687-76-3, Espindolol benzoate, (s)-pindolol benzoate, T7re5cr8l6, (s)-(-)-pindolol benzoate, Ex-a8535a

Molecular Formula

C₂₁H₂₆N₂O₄

Molecular Weight

370.4 g/mol

InChI Key

ZSYBDNFFFZEJDM-MERQFXBCSA-N

FDA UNII

T7RE5CR8L6

1 2D Structure

Pindolol benzoate, (S)-

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzoic acid;(2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

2.1.2 InChI

InChI=1S/C14H20N2O2.C7H6O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;8-7(9)6-4-2-1-3-5-6/h3-7,10-11,15-17H,8-9H2,1-2H3;1-5H,(H,8,9)/t11-;/m0./s1

2.1.3 InChI Key

ZSYBDNFFFZEJDM-MERQFXBCSA-N

2.2 Other Identifiers

2.2.1 UNII

T7RE5CR8L6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2722687-76-3

2. Espindolol Benzoate

3. (s)-pindolol Benzoate

4. T7re5cr8l6

5. (s)-(-)-pindolol Benzoate

6. Ex-a8535a

7. Acm-001.1

2.4 Create Date

2024-01-03

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₆N₂O₄
Molecular Weight	370.4 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	94.6
Heavy Atom Count	27
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2