ESREBOXETINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23NO3
Molecular Weight	313.3908
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESREBOXETINE

Structure Search

SMILES

[H][C@]1(CNCCO1)[C@@H](OC2=C(OCC)C=CC=C2)C3=CC=CC=C3

InChI

InChIKey=CBQGYUDMJHNJBX-OALUTQOASA-N

InChI=1S/C19H23NO3/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/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1

HIDE SMILES / InChI

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	L8S50ZY490
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESREBOXETINE

Official Name

English

ESREBOXETINE [USAN]

Common Name

English

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

Systematic Name

English

esreboxetine [INN]

Common Name

English

MORPHOLINE, 2-((S)-(2-ETHOXYPHENOXY)PHENYLMETHYL)-, (2S)-

Systematic Name

English

S,S-REBOXETINE

Common Name

English

(S,S)-REBOXETINE

Common Name

English

Esreboxetine [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

65856

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

NCI_THESAURUS

C175719

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

ChEMBL

CHEMBL180101

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

SMS_ID

100000153035

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

INN

8997

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

DRUG BANK

DB12395

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID601009938

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

WIKIPEDIA

ESREBOXETINE

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

EVMPD

SUB126851

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

CAS

98819-76-2

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

USAN

TT-93

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

FDA UNII

L8S50ZY490

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

MESH

C541385

Created by admin on Fri Dec 15 16:32:56 UTC 2023 , Edited by admin on Fri Dec 15 16:32:56 UTC 2023

PRIMARY

Related Record Type Details


					6MYD4C025Q

FLUOXETINE, (S)-

PARENT -> DERIVATIVE


					XQO13W6OCH

ESREBOXETINE SUCCINATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					L8S50ZY490

ACTIVE MOIETY