BATEFENTEROL SUCCINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H42ClN5O7.C4H6O4
Molecular Weight	858.332
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC(O)=O.COC1=C(CNC[C@H](O)C2=CC=C(O)C3=C2C=CC(=O)N3)C=C(Cl)C(NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6)=C1

InChI

InChIKey=BDWHLFQPZLPCIZ-XLQCLRHOSA-N

InChI=1S/C40H42ClN5O7.C4H6O4/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25;5-3(6)1-2-4(7)8/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49);1-2H2,(H,5,6)(H,7,8)/t35-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C4H6O4
Molecular Weight	118.088
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C40H42ClN5O7
Molecular Weight	740.244
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 03:12:22 UTC 2023` Edited by `admin` on `Sat Dec 16 03:12:22 UTC 2023`
Record UNII	552KVF22JT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BATEFENTEROL SUCCINATE

Official Name

English

GSK-961081D

Code

English

BATEFENTEROL SUCCINATE [USAN]

Common Name

English

1-(3-((2-CHLORO-4-((((2R)-2-HYDROXY-2-(8-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-5-YL)ETHYL)AMINO(METHYL)-5-METHOXYPHENYL)AMINO)-3-OXOPROPYL)PIPERIDIN-4-YL (BIPHENYL-2-YL)CARBAMATE, BUTANEDIOATE (SALT)

Systematic Name

English

GSK961081D

Code

English

BUTANEDIOIC ACID, COMPD. WITH 1-(3-((2-CHLORO-4-((((2R)-2-(1,2-DIHYDRO-8-HYDROXY-2-OXO-5-QUINOLINYL)-2-HYDROXYETHYL)AMINO)METHYL)-5-METHOXYPHENYL)AMINO)-3-OXOPROPYL)-4-PIPERIDINYL N-(1,1'-BIPHENYL)-2-YLCARBAMATE (1:1)

Common Name

English

Batefenterol succinate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C87053