4-CHLORO-DL-PHENYLALANINE METHYL ESTER HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H12ClNO2.ClH
Molecular Weight	250.122
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-CHLORO-DL-PHENYLALANINE METHYL ESTER HYDROCHLORIDE

Structure Search

SMILES

Cl.COC(=O)C(N)CC1=CC=C(Cl)C=C1

InChI

InChIKey=GCBCWTWQAFLKJG-UHFFFAOYSA-N

InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;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	C10H12ClNO2
Molecular Weight	213.661
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
CHEMBL3831287: Tryptophan 5-hydroxylase, human 4 Target ID: CHEMBL3831287: Tryptophan 5-hydroxylase, human Sources: https://www.ncbi.nlm.nih.gov/pubmed/10855943 \| https://www.ncbi.nlm.nih.gov/pubmed/10748274	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:30:56 GMT 2023` Edited by `admin` on `Sat Dec 16 11:30:56 GMT 2023`
Record UNII	OC0YKX1H41
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-CHLORO-DL-PHENYLALANINE METHYL ESTER HYDROCHLORIDE

Systematic Name

English

METHYL 2-AMINO-3-(4-CHLOROPHENYL)PROPANOATE HYDROCHLORIDE, (2RS)-

Systematic Name

English

ALANINE, 3-(P-CHLOROPHENYL)-, METHYL ESTER, HYDROCHLORIDE, DL-

Systematic Name

English

PHENYLALANINE, 4-CHLORO-, METHYL ESTER, HYDROCHLORIDE

Systematic Name

English

PHENYLALANINE, 4-CHLORO-, METHYL ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

4-CHLOROPHENYLALANINE METHYL ESTER HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60931184

Created by admin on Sat Dec 16 11:30:56 GMT 2023 , Edited by admin on Sat Dec 16 11:30:56 GMT 2023

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PUBCHEM

26531

Created by admin on Sat Dec 16 11:30:56 GMT 2023 , Edited by admin on Sat Dec 16 11:30:56 GMT 2023

PRIMARY

FDA UNII

OC0YKX1H41

Created by admin on Sat Dec 16 11:30:56 GMT 2023 , Edited by admin on Sat Dec 16 11:30:56 GMT 2023

PRIMARY

CAS

14173-40-1

Created by admin on Sat Dec 16 11:30:56 GMT 2023 , Edited by admin on Sat Dec 16 11:30:56 GMT 2023

PRIMARY

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