Chemical identity

Clindamycin Pentadecanoate

CAS 1123211-67-5 · C33H61ClN2O6S

01Identity

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

Lazychem IDLC-11115
PubChem CID156614159
NameClindamycin Pentadecanoate
CAS RN1123211-67-5
Molecular formulaC33H61ClN2O6S
Molecular weight649.36 g/mol
IUPAC name[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] pentadecanoate
InChIKeyYQVJBMURKHNOBB-VYUCIWTASA-N

02Structure identifiers

2D structurePubChem CID 156614159
2D structure: Clindamycin Pentadecanoate, CAS 1123211-67-5
Structure of Clindamycin Pentadecanoate (CAS 1123211-67-5). LazyChem record. Source identity: PubChem CID 156614159. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC33H61ClN2O6S
InChIKeyYQVJBMURKHNOBB-VYUCIWTASA-N
Ring count2
Defined stereocentres9
Unassigned stereocentres0
SMILESCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1SC)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]2C[C@H](CN2C)CCC)O)O
InChIInChI=1S/C33H61ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-26(37)41-31-29(39)28(38)30(42-33(31)43-5)27(23(3)34)35-32(40)25-21-24(19-7-2)22-36(25)4/h23-25,27-31,33,38-39H,6-22H2,1-5H3,(H,35,40)/t23-,24+,25-,27+,28+,29-,30+,31+,33+/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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Clindamycin Pentadecanoate, CAS 1123211-67-5
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 1123211-67-5 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 1123211-67-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Clindamycin

View API and impurity family

Other names

  • L-Threo-alpha-D-galacto-octopyranoside, methyl 7-chloro-6, 7, 8-trideoxy-6-((((2S, 4R)-1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, 2-pentadecanoate

Related records from the same parent family

07Documented 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.

08Sources