YM-9636324

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H32N4O9S
Molecular Weight	588.629
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(CC(=O)NC2=CC=C(CCN(C[C@H](O)C3=CC=CC=C3)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)=CS1

InChI

InChIKey=PPZPAYKGJINYBZ-FBZAMZGSSA-N

InChI=1S/C27H32N4O9S/c28-27-30-18(14-41-27)12-20(33)29-17-8-6-15(7-9-17)10-11-31(13-19(32)16-4-2-1-3-5-16)40-26-23(36)21(34)22(35)24(39-26)25(37)38/h1-9,14,19,21-24,26,32,34-36H,10-13H2,(H2,28,30)(H,29,33)(H,37,38)/t19-,21-,22-,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H32N4O9S
Molecular Weight	588.629
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:33:09 UTC 2023` Edited by `admin` on `Sat Dec 16 09:33:09 UTC 2023`
Record UNII	RJ1WP0LG74
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

YM-9636324

Common Name

English

(2S,3S,4S,5R,6S)-6-(((4-(2-(2-AMINOTHIAZOL-4-YL)ACETAMIDO)PHENETHYL)((R)-2-HYDROXY-2-PHENYLETHYL)AMINO)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

MIRABEGRON (M15)

Common Name

English

Code System Code Type Description

PUBCHEM

91810676

Created by admin on Sat Dec 16 09:33:09 UTC 2023 , Edited by admin on Sat Dec 16 09:33:09 UTC 2023

PRIMARY

FDA UNII

RJ1WP0LG74

Created by admin on Sat Dec 16 09:33:09 UTC 2023 , Edited by admin on Sat Dec 16 09:33:09 UTC 2023

PRIMARY

CAS

1365244-69-4

Created by admin on Sat Dec 16 09:33:09 UTC 2023 , Edited by admin on Sat Dec 16 09:33:09 UTC 2023

PRIMARY

Related Record Type Details


					MVR3JL3B2V

MIRABEGRON

PARENT -> METABOLITE

Comments:

CYP 3A4 is the primary responsible isoenzyme for in vitro hepatic oxidative metabolism of mirabegron, with a minor role of CYP2D6