Chemical identity

4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl hydrogen sulfate

CAS 35538-87-5 · C8H11NO6S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-23695
PubChem CID9992243
Name4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl hydrogen sulfate
CAS RN35538-87-5
Molecular formulaC8H11NO6S
Molecular weight249.24 g/mol
IUPAC name4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol 1-(Hydrogen Sulfate)
InChIKeyCVJMZWLHUCMEKO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 9992243
2D structure: 4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl hydrogen sulfate, CAS 35538-87-5
Structure of 4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl hydrogen sulfate (CAS 35538-87-5). LazyChem record. Source identity: PubChem CID 9992243. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC8H11NO6S
InChIKeyCVJMZWLHUCMEKO-UHFFFAOYSA-N
Ring count1
Defined stereocentres0
Unassigned stereocentres1
SMILESC1=CC(=C(C=C1C(CN)O)O)OS(=O)(=O)O
InChIInChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 35538-87-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 35538-87-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Noradrenaline

View API and impurity family

Other names

  • 4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl hydrogen sulfate / DL-Norepinephrine 4-Sulfate
  • [4-(2-Amino-1-hydroxyethyl)-2-hydroxyphenyl] hydrogen sulfate
  • Noradrenaline (Norepinephrine) Impurity 61

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources