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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NO3.H3O4P
Molecular Weight 399.3753
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOBUTAMINE PHOSPHATE, (R)-

SMILES

OP(O)(O)=O.C[C@H](CCC1=CC=C(O)C=C1)NCCC2=CC(O)=C(O)C=C2

InChI

InChIKey=JJDDIKDNBCHINM-BTQNPOSSSA-N
InChI=1S/C18H23NO3.H3O4P/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;1-5(2,3)4/h4-9,12-13,19-22H,2-3,10-11H2,1H3;(H3,1,2,3,4)/t13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H23NO3
Molecular Weight 301.3801
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H3O4P
Molecular Weight 97.9952
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 11:13:47 GMT 2023
Edited
by admin
on Sat Dec 16 11:13:47 GMT 2023
Record UNII
MA2DKR6MKY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOBUTAMINE PHOSPHATE, (R)-
Common Name English
1,2-BENZENEDIOL, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-, (R)-, PHOSPHATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
CAS
120885-54-3
Created by admin on Sat Dec 16 11:13:47 GMT 2023 , Edited by admin on Sat Dec 16 11:13:47 GMT 2023
PRIMARY
PUBCHEM
124220550
Created by admin on Sat Dec 16 11:13:47 GMT 2023 , Edited by admin on Sat Dec 16 11:13:47 GMT 2023
PRIMARY
FDA UNII
MA2DKR6MKY
Created by admin on Sat Dec 16 11:13:47 GMT 2023 , Edited by admin on Sat Dec 16 11:13:47 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER