4-HYDROXYMETHYL LORATADINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25ClN2O3
Molecular Weight	412.909
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)N1CCC(CC1)=C2C3=C(CCC4=C2N=CC=C4CO)C=C(Cl)C=C3

InChI

InChIKey=BCKYTUFUNAGTDV-UHFFFAOYSA-N

InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-8-15(9-12-26)21-19-6-4-18(24)13-16(19)3-5-20-17(14-27)7-10-25-22(20)21/h4,6-7,10,13,27H,2-3,5,8-9,11-12,14H2,1H3

HIDE SMILES / InChI

Molecular Formula	C23H25ClN2O3
Molecular Weight	412.909
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 10:38:05 UTC 2023` Edited by `admin` on `Sat Dec 16 10:38:05 UTC 2023`
Record UNII	W2PK8Q54XB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-HYDROXYMETHYL LORATADINE

Common Name

English

ETHYL 4-(8-CHLORO-5,6-DIHYDRO-4-(HYDROXYMETHYL)-11H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLATE

Systematic Name

English

1-PIPERIDINECARBOXYLIC ACID, 4-(8-CHLORO-5,6-DIHYDRO-4-(HYDROXYMETHYL)-11H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YLIDENE)-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

609806-40-8

Created by admin on Sat Dec 16 10:38:05 UTC 2023 , Edited by admin on Sat Dec 16 10:38:05 UTC 2023

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FDA UNII

W2PK8Q54XB

Created by admin on Sat Dec 16 10:38:05 UTC 2023 , Edited by admin on Sat Dec 16 10:38:05 UTC 2023

PRIMARY

PUBCHEM

4161540

Created by admin on Sat Dec 16 10:38:05 UTC 2023 , Edited by admin on Sat Dec 16 10:38:05 UTC 2023

PRIMARY

EPA CompTox

DTXSID70400098

Created by admin on Sat Dec 16 10:38:05 UTC 2023 , Edited by admin on Sat Dec 16 10:38:05 UTC 2023

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Related Record Type Details


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LORATADINE

PARENT -> IMPURITY

Amount: