N-5984 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22ClNO5.ClH
Molecular Weight	428.306
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.C[C@H](CC1=CC=C2O[C@H](COC2=C1)C(O)=O)NC[C@H](O)C3=CC(Cl)=CC=C3

InChI

InChIKey=WYYDSQVPYKSNHF-VXTSHZJESA-N

InChI=1S/C20H22ClNO5.ClH/c1-12(22-10-16(23)14-3-2-4-15(21)9-14)7-13-5-6-17-18(8-13)26-11-19(27-17)20(24)25;/h2-6,8-9,12,16,19,22-23H,7,10-11H2,1H3,(H,24,25);1H/t12-,16+,19-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C20H22ClNO5
Molecular Weight	391.845
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:59:41 GMT 2023` Edited by `admin` on `Sat Dec 16 18:59:41 GMT 2023`
Record UNII	J3Y96DL5QS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-5984 HYDROCHLORIDE

Common Name

English

1,4-BENZODIOXIN-2-CARBOXYLIC ACID, 6-((2R)-2-(((2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)PROPYL)-2,3-DIHYDRO-, HYDROCHLORIDE (1:1), (2R)-

Systematic Name

English

(2R)-6-((2R)-2-(((2R)-2-(3-CHLOROPHENYL)-2-HYDROXY-ETHYL)AMINO)PROPYL)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

185035-23-8

Created by admin on Sat Dec 16 18:59:41 GMT 2023 , Edited by admin on Sat Dec 16 18:59:41 GMT 2023

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FDA UNII

J3Y96DL5QS

Created by admin on Sat Dec 16 18:59:41 GMT 2023 , Edited by admin on Sat Dec 16 18:59:41 GMT 2023

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PUBCHEM

156613743

Created by admin on Sat Dec 16 18:59:41 GMT 2023 , Edited by admin on Sat Dec 16 18:59:41 GMT 2023

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