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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H13NO6S
Molecular Weight 263.2691
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPINEPHRINE 3-SULFATE

SMILES

CNC[C@@]([H])(c1ccc(c(c1)OS(=O)(=O)O)O)O

InChI

InChIKey=UVOUYHHCKBJLOS-QMMMGPOBSA-N
InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-7(11)9(4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H13NO6S
Molecular Weight 263.2691
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment:: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/2317215 | https://www.ncbi.nlm.nih.gov/pubmed/3182167 | https://www.ncbi.nlm.nih.gov/pubmed/6625173

Epinephrine 3-sulfate is Epinephrine natural metabolite, that can be used for determination of catecholamine sulfoconjugate isomers in normal human urine.

Originator

Sources: Phenolsulfotransferase Ment. Health Res. (1981), 145-51.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Modified syntheses of dopamine-4-sulfate, epinephrine-3-sulfate, and norepinephrine-3-sulfate: determination of the position of the sulfate group by 1H-NMR spectroscopy.
1988 Aug

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Jun 26 02:05:22 UTC 2021
Edited
by admin
on Sat Jun 26 02:05:22 UTC 2021
Record UNII
1VIS2Q31CE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPINEPHRINE 3-SULFATE
Common Name English
Code System Code Type Description
FDA UNII
1VIS2Q31CE
Created by admin on Sat Jun 26 02:05:22 UTC 2021 , Edited by admin on Sat Jun 26 02:05:22 UTC 2021
PRIMARY
CAS
84004-93-3
Created by admin on Sat Jun 26 02:05:22 UTC 2021 , Edited by admin on Sat Jun 26 02:05:22 UTC 2021
PRIMARY
PUBCHEM
10061292
Created by admin on Sat Jun 26 02:05:22 UTC 2021 , Edited by admin on Sat Jun 26 02:05:22 UTC 2021
PRIMARY