(4-(2-(((2R)-2-HYDROXY-2-(6-HYDROXY-3-OXO-4H-1,4-BENZOXAZIN-8-YL)ETHYL)AMINO)-2-METHYL-PROPYL)PHENYL) HYDROGEN SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24N2O8S
Molecular Weight	452.478
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-(2-(((2R)-2-HYDROXY-2-(6-HYDROXY-3-OXO-4H-1,4-BENZOXAZIN-8-YL)ETHYL)AMINO)-2-METHYL-PROPYL)PHENYL) HYDROGEN SULFATE

Structure Search

SMILES

CC(C)(CC1=CC=C(OS(O)(=O)=O)C=C1)NC[C@H](O)C2=CC(O)=CC3=C2OCC(=O)N3

InChI

InChIKey=WFWBNMBOJMUVDA-KRWDZBQOSA-N

InChI=1S/C20H24N2O8S/c1-20(2,9-12-3-5-14(6-4-12)30-31(26,27)28)21-10-17(24)15-7-13(23)8-16-19(15)29-11-18(25)22-16/h3-8,17,21,23-24H,9-11H2,1-2H3,(H,22,25)(H,26,27,28)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H24N2O8S
Molecular Weight	452.478
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:44:12 UTC 2023` Edited by `admin` on `Sat Dec 16 18:44:12 UTC 2023`
Record UNII	2NL5LG9LU4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-(2-(((2R)-2-HYDROXY-2-(6-HYDROXY-3-OXO-4H-1,4-BENZOXAZIN-8-YL)ETHYL)AMINO)-2-METHYL-PROPYL)PHENYL) HYDROGEN SULFATE

Systematic Name

English

OLODATEROL METABOLITE M455(1)

Common Name

English

CD12656

Common Name

English

Code System Code Type Description

FDA UNII

2NL5LG9LU4

Created by admin on Sat Dec 16 18:44:12 UTC 2023 , Edited by admin on Sat Dec 16 18:44:12 UTC 2023

PRIMARY

PUBCHEM

155929120

Created by admin on Sat Dec 16 18:44:12 UTC 2023 , Edited by admin on Sat Dec 16 18:44:12 UTC 2023

PRIMARY

Related Record Type Details


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OLODATEROL

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