Chemical identity

N-(Butylsulfonyl)-O-[4-(4-pyridinyl)butyl]-L-tyrosine

CAS 149490-61-9 · C22H30N2O5S

01Identity

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

Lazychem IDLC-29752
PubChem CID10863000
NameN-(Butylsulfonyl)-O-[4-(4-pyridinyl)butyl]-L-tyrosine
CAS RN149490-61-9
Molecular formulaC22H30N2O5S
Molecular weight434.56 g/mol
IUPAC name(S)-2-(butylsulfonamido)-3-(4-(4-(pyridin-4-yl)butoxy)phenyl)propanoic acid
InChIKeyFRFFSBHFSQTHRE-NRFANRHFSA-N

02Structure identifiers

2D structurePubChem CID 10863000
2D structure: N-(Butylsulfonyl)-O-[4-(4-pyridinyl)butyl]-L-tyrosine, CAS 149490-61-9
Structure of N-(Butylsulfonyl)-O-[4-(4-pyridinyl)butyl]-L-tyrosine (CAS 149490-61-9). LazyChem record. Source identity: PubChem CID 10863000. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H30N2O5S
InChIKeyFRFFSBHFSQTHRE-NRFANRHFSA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESCCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2=CC=NC=C2)C(=O)O
InChIInChI=1S/C22H30N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-14,21,24H,2-6,15-17H2,1H3,(H,25,26)/t21-/m0/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact 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 149490-61-9 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 149490-61-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Tirofiban

View API and impurity family

Other names

  • Tirofiban Impurity 81
  • (S)-2-(Butylsulfonamido)-3-(4-(4-(pyridin-4-yl)butoxy)phenyl)propanoic acid
  • N-(N-BUTANESULFONYL)-O-[4-(4-PYRIDINYL)-BUTYL]-(S)-TYROSINE
  • (2S)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoic Acid
  • L-Tyrosine, N-(butylsulfonyl)-O-[4-(4-pyridinyl)butyl]-
  • N-Butanesulfonyl-O-[4-(4-pyridinyl)-butyl]-(S)-tyrosine
  • Tirofiban Impurity 24
  • (2S)-2-(BUTANE-1-SULFONAMIDO)-3-{4-[4-(PYRIDIN-4-YL)BUTOXY]PHENYL}PROPANOIC ACID

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