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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16ClNO3.CH4O3S
Molecular Weight 401.862
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FENOLDOPAM MESYLATE, (R)-

SMILES

CS(O)(=O)=O.OC1=CC=C(C=C1)[C@H]2CNCCC3=C(Cl)C(O)=C(O)C=C23

InChI

InChIKey=CVKUMNRCIJMVAR-BTQNPOSSSA-N
InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)/t13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C16H16ClNO3
Molecular Weight 305.756
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
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 10:12:32 GMT 2023
Edited
by admin
on Sat Dec 16 10:12:32 GMT 2023
Record UNII
V68H14Y2XS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FENOLDOPAM MESYLATE, (R)-
Common Name English
1H-3-BENZAZEPINE-7,8-DIOL, 6-CHLORO-2,3,4,5-TETRAHYDRO-1-(4-HYDROXYPHENYL)-, (1R)-, METHANESULFONATE (SALT)
Systematic Name English
(R)-SKF-82526 METHANESULFONATE
Code English
SKF-R-82526J
Code English
Code System Code Type Description
FDA UNII
V68H14Y2XS
Created by admin on Sat Dec 16 10:12:33 GMT 2023 , Edited by admin on Sat Dec 16 10:12:33 GMT 2023
PRIMARY
PUBCHEM
73416430
Created by admin on Sat Dec 16 10:12:33 GMT 2023 , Edited by admin on Sat Dec 16 10:12:33 GMT 2023
PRIMARY
CAS
87863-84-1
Created by admin on Sat Dec 16 10:12:33 GMT 2023 , Edited by admin on Sat Dec 16 10:12:33 GMT 2023
PRIMARY
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