XAMOTEROL FUMARATE

Details

Stereochemistry	RACEMIC
Molecular Formula	2C16H25N3O5.C4H4O4
Molecular Weight	794.8458
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.OC(CNCCNC(=O)N1CCOCC1)COC2=CC=C(O)C=C2.OC(CNCCNC(=O)N3CCOCC3)COC4=CC=C(O)C=C4

InChI

InChIKey=QEDVGROSOZBGOZ-WXXKFALUSA-N

InChI=1S/2C16H25N3O5.C4H4O4/c2*20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19;5-3(6)1-2-4(7)8/h2*1-4,14,17,20-21H,5-12H2,(H,18,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Molecular Formula	C16H25N3O5
Molecular Weight	339.3868
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:51:54 UTC 2023` Edited by `admin` on `Fri Dec 15 18:51:54 UTC 2023`
Record UNII	N87007N668
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XAMOTEROL FUMARATE

Official Name

English

XAMOTEROL FUMARATE [USAN]

Common Name

English

ICI-118,587 HEMIFUMARATE

Common Name

English

ICI-118587 HEMIFUMARATE

Common Name

English

Xamoterol fumarate [WHO-DD]

Common Name

English

4-MORPHINOLINECARBOXAMIDE, N-*(2-((2-HYDROXY-3-(4-HYDROXYPHENOXY)PROPYL)AMINO)ETHYL)-, (±)-, (E)-2-BUTENEDIOATE (2:1) (SALT)

Common Name

English

XAMOTEROL HEMIFUMARATE [MI]

Common Name

English

XAMOTEROL FUMARATE [MART.]

Common Name

English

(±)-N-(2-((2-HYDROXY-3-(P-HYDROXYPHENOXY)PROPYL)AMINO)ETHYL)-4-MORPHOLINECARBOXAMIDE FUMARATE (2:1) (SALT)

Common Name

English

XAMOTEROL FUMARATE [JAN]

Common Name

English

ICI 118,587

Code

English

XAMOTEROL HEMIFUMARATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78322