Chemical identity

(S)-2-Amino-5-methoxytetralin (S)-Mandelate

CAS 439133-67-2 · C19H23NO4

01Identity

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

Lazychem IDLC-00783
PubChem CID53393347
Name(S)-2-Amino-5-methoxytetralin (S)-Mandelate
CAS RN439133-67-2
Molecular formulaC19H23NO4
Molecular weight329.4 g/mol
IUPAC name(S)-5-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (S)-2-hydroxy-2-phenylacetate
InChIKeyGTWGCLZVABLEAP-ANNIYNITSA-N

02Structure identifiers

2D structurePubChem CID 53393347
2D structure: (S)-2-Amino-5-methoxytetralin (S)-Mandelate, CAS 439133-67-2
Structure of (S)-2-Amino-5-methoxytetralin (S)-Mandelate (CAS 439133-67-2). LazyChem record. Source identity: PubChem CID 53393347. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H23NO4
InChIKeyGTWGCLZVABLEAP-ANNIYNITSA-N
Ring count3
Defined stereocentres2
Unassigned stereocentres0
SMILESCOC1=CC=CC2=C1CC[C@@H](C2)N.C1=CC=C(C=C1)[C@@H](C(=O)O)O
InChIInChI=1S/C11H15NO.C8H8O3/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;9-7(8(10)11)6-4-2-1-3-5-6/h2-4,9H,5-7,12H2,1H3;1-5,7,9H,(H,10,11)/t9-;7-/m00/s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 439133-67-2 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 439133-67-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Rotigotine

View API and impurity family

Other names

  • (2S)-Hydroxy(phenyl)acetic acid--(2S)-5-methoxy-1, 2, 3, 4-tetrahydronaphthalen-2-amine (1/1)

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