Chemical identity

Diltiazem EP Impurity B

CAS 87447-47-0 · C18H17NO4S

01Identity

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

Lazychem IDLC-12995
PubChem CID11110671
NameDiltiazem EP Impurity B
CAS RN87447-47-0
Molecular formulaC18H17NO4S
Molecular weight343.4 g/mol
IUPAC name(2S,3S)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro- 1,5-benzothiazepin-3-yl acetate
InChIKeyWKLRIRQZTCFCSE-SJORKVTESA-N

02Structure identifiers

2D structurePubChem CID 11110671
2D structure: Diltiazem EP Impurity B, CAS 87447-47-0
Structure of Diltiazem EP Impurity B (CAS 87447-47-0). LazyChem record. Source identity: PubChem CID 11110671. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H17NO4S
InChIKeyWKLRIRQZTCFCSE-SJORKVTESA-N
Ring count3
Defined stereocentres2
Unassigned stereocentres0
SMILESCC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC
InChIInChI=1S/C18H17NO4S/c1-11(20)23-16-17(12-7-9-13(22-2)10-8-12)24-15-6-4-3-5-14(15)19-18(16)21/h3-10,16-17H,1-2H3,(H,19,21)/t16-,17+/m1/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

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 87447-47-0 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 87447-47-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Diltiazem

View API and impurity family

Other names

  • Des[5-(2-dimethylamino)ethyl] Diltiazem
  • (2S)-cis-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • cis(+)-3-acetyloxy-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • Diltiazem Related Compound B
  • Diltiazem EP Impurity B/ Diltiazem Related Compound B (Free Base)

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