Chemical identity

Rifabutin EP Impurity D

CAS 62041-01-4 · C37H47N3O11

01Identity

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

Lazychem IDLC-26969
PubChem CID9575738
NameRifabutin EP Impurity D
CAS RN62041-01-4
Molecular formulaC37H47N3O11
Molecular weight709.78 g/mol
IUPAC name3-Amino-4-imidorifamycin S
InChIKeyQBRFPWPICDILII-WVKYYCEASA-N

02Structure identifiers

2D structurePubChem CID 9575738
2D structure: Rifabutin EP Impurity D, CAS 62041-01-4
Structure of Rifabutin EP Impurity D (CAS 62041-01-4). LazyChem record. Source identity: PubChem CID 9575738. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC37H47N3O11
InChIKeyQBRFPWPICDILII-WVKYYCEASA-N
Ring count5
Defined stereocentres9
Unassigned stereocentres0
SMILESC[C@H]1/C=C/C=C(\C(=O)N=C2C(=C(C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)N)N)/C
InChIInChI=1S/C37H47N3O11/c1-15-11-10-12-16(2)36(47)40-28-27(39)26(38)23-24(32(28)45)31(44)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)41)19(5)30(43)18(4)29(15)42/h10-15,17-19,22,29-30,33,42-44H,38-39H2,1-9H3/b11-10+,14-13+,16-12-,40-28?/t15-,17+,18+,19+,22-,29-,30+,33+,37-/m0/s1

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres92D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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 62041-01-4 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 62041-01-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Rifabutin

View API and impurity family

Other names

  • 3-Amino-4-deoxo-4-iminorifamycin S
  • Rifabutin impurity D [EP]
  • Rifamycin, 3-amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxo-
  • RIFABUTIN IMPURITY D [EP IMPURITY]
  • 3-Amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxorifamycin
  • Rifabutin impurity D

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