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Details

Stereochemistry RACEMIC
Molecular Formula C17H18ClNO3.ClH
Molecular Weight 356.244
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL FENOLDOPAM HYDROCHLORIDE

SMILES

Cl.CN1CCC2=C(C=C(O)C(O)=C2Cl)C(C1)C3=CC=C(O)C=C3

InChI

InChIKey=YJGGPTFGAQRAOX-UHFFFAOYSA-N
InChI=1S/C17H18ClNO3.ClH/c1-19-7-6-12-13(8-15(21)17(22)16(12)18)14(9-19)10-2-4-11(20)5-3-10;/h2-5,8,14,20-22H,6-7,9H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C17H18ClNO3
Molecular Weight 319.783
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 11:18:56 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:56 GMT 2023
Record UNII
CU3LKP1HM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYL FENOLDOPAM HYDROCHLORIDE
Common Name English
6-CHLORO-1-(4-HYDROXYPHENYL)-3-METHYL-2,3,4,5-TETRAHYDRO-1H-BENZO(D)AZEPINE-7,8-DIOL HYDROCHLORIDE
Systematic Name English
FENOLDOPAM RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
CAS
104130-00-9
Created by admin on Sat Dec 16 11:18:56 GMT 2023 , Edited by admin on Sat Dec 16 11:18:56 GMT 2023
MAJOR COMPONENT STRUCTURE/SEQUENCE
PUBCHEM
135121345
Created by admin on Sat Dec 16 11:18:56 GMT 2023 , Edited by admin on Sat Dec 16 11:18:56 GMT 2023
PRIMARY
FDA UNII
CU3LKP1HM7
Created by admin on Sat Dec 16 11:18:56 GMT 2023 , Edited by admin on Sat Dec 16 11:18:56 GMT 2023
PRIMARY
RS_ITEM_NUM
1269469
Created by admin on Sat Dec 16 11:18:56 GMT 2023 , Edited by admin on Sat Dec 16 11:18:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY