ESREBOXETINE SUCCINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23NO3.C4H6O4
Molecular Weight	431.4789
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC(O)=O.[H][C@]1(CNCCO1)[C@@H](OC2=C(OCC)C=CC=C2)C3=CC=CC=C3

InChI

InChIKey=YXZTUOWIYOESGT-HLRBRJAUSA-N

InChI=1S/C19H23NO3.C4H6O4/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;5-3(6)1-2-4(7)8/h3-11,18-20H,2,12-14H2,1H3;1-2H2,(H,5,6)(H,7,8)/t18-,19-;/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	C19H23NO3
Molecular Weight	313.3908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:32:56 UTC 2023` Edited by `admin` on `Fri Dec 15 16:32:56 UTC 2023`
Record UNII	XQO13W6OCH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESREBOXETINE SUCCINATE

Official Name

English

ESREBOXETINE SUCCINATE [USAN]

Common Name

English

PNU-165442G

Code

English

(+)-(2S)-2-((S)-(2-ETHOXYPHENOXY)PHENYLMETHYL)MORPHOLINE HYDROGEN BUTANEDIOATE

Systematic Name

English

(S,S)-REBOXETINE SUCCINATE

Common Name

English

BUTANEDIOIC ACID, COMPD. WITH (2S)-2-((S)-(2-ETHOXYPHENOXY)PHENYLMETHYL)MORPHOLINE (1:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265