ATOPAXAR HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H38FN3O5.ClH
Molecular Weight	564.088
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCOC1=CC2=C(C(=N)N(CC(=O)C3=CC(N4CCOCC4)=C(OC)C(=C3)C(C)(C)C)C2)C(F)=C1OCC

InChI

InChIKey=DUUYZYAKJMJYJV-UHFFFAOYSA-N

InChI=1S/C29H38FN3O5.ClH/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32;/h13-15,31H,7-12,16-17H2,1-6H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C29H38FN3O5
Molecular Weight	527.6275
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:32:12 UTC 2023` Edited by `admin` on `Sat Dec 16 05:32:12 UTC 2023`
Record UNII	8J718S3ET9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATOPAXAR HYDROCHLORIDE

Official Name

English

ATOPAXAR HYDROCHLORIDE [USAN]

Common Name

English

ETHANONE, 2-(5,6-DIETHOXY-7-FLUORO-1,3-DIHYDRO-1-IMINO-2H-ISOINDOL-2-YL)-1-(3-(1,1-DIMETHYLETHYL)-4-METHOXY-5-(4-MORPHOLINYL)PHENYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1327