ABEDITEROL NAPADISYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C25H30F2N2O4.C10H8O6S2
Molecular Weight	1209.324
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.O[C@@H](CNCCCCCCOCC(F)(F)C3=CC=CC=C3)C4=CC=C(O)C5=C4C=CC(=O)N5.O[C@@H](CNCCCCCCOCC(F)(F)C6=CC=CC=C6)C7=CC=C(O)C8=C7C=CC(=O)N8

InChI

InChIKey=YWFAHMIAJNFTHW-VRCDMBAWSA-N

InChI=1S/2C25H30F2N2O4.C10H8O6S2/c2*26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32);1-6H,(H,11,12,13)(H,14,15,16)/t2*22-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C10H8O6S2
Molecular Weight	288.297
Charge	0
Count

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

Molecular Formula	C25H30F2N2O4
Molecular Weight	460.5135
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 01:26:52 UTC 2023` Edited by `admin` on `Sat Dec 16 01:26:52 UTC 2023`
Record UNII	Y1VU8893S8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABEDITEROL NAPADISYLATE

Official Name

English

Abediterol napadisylate [WHO-DD]

Common Name

English

LAS-100977 NAPADISYLATE

Code

English

LAS100977 NAPADISYLATE

Code

English

1,5-NAPHTHALENEDISULFONIC ACID, COMPD. WITH 5-((1R)-2-((6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL)AMINO)-1-HYDROXYETHYL)-8-HYDROXY-2(1H)-QUINOLINONE (1:2)

Common Name

English

ABEDITEROL NAPADISYLATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149