2D structurePubChem CID 176473239
Chemical identity
3-Hydroxy Azithromycinoic Acid
CAS 2365312-76-9 · C30H60N2O10
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-02544 |
|---|---|
| PubChem CID | 176473239 |
| Name | 3-Hydroxy Azithromycinoic Acid |
| CAS RN | 2365312-76-9 |
| Molecular formula | C30H60N2O10 |
| Molecular weight | 608.81 g/mol |
| IUPAC name | (2R,3S,4S,5R,6R,8R)-5-(((2S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,6-dihydroxy-2,4,6,8-tetramethyl-9-(methyl((2R,3R,4R,5R)-3,4,5-trihydroxy-4-methylheptan-2-yl)amino)nonanoate |
| InChIKey | ZRCSBIYRGBEULX-SPJQPUFXSA-N |
02Structure identifiers
2D structurePubChem CID 176473239
Structure facts for this exact identity.
| Molecular formula | C30H60N2O10 |
|---|---|
| InChIKey | ZRCSBIYRGBEULX-SPJQPUFXSA-N |
| Ring count | 1 |
| Defined stereocentres | 10 |
| Unassigned stereocentres | 4 |
| SMILES | CC[C@H]([C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O)O)OC1C(C(CC(O1)C)N(C)C)O)O)O)O)O |
|---|---|
| InChI | InChI=1S/C30H60N2O10/c1-12-22(33)30(8,40)25(36)20(6)32(11)15-16(2)14-29(7,39)26(18(4)23(34)19(5)27(37)38)42-28-24(35)21(31(9)10)13-17(3)41-28/h16-26,28,33-36,39-40H,12-15H2,1-11H3,(H,37,38)/t16-,17?,18+,19-,20-,21?,22-,23+,24?,25-,26-,28?,29-,30-/m1/s1 |
03Stereochemistry
The published structure contains 10 defined and 4 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.
Defined stereocentres102D structure
Unassigned stereocentres42D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16,384Before symmetry reduction
Published same-connectivity configurations
1 recordThese 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
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 / RCS | NOT FOUND IN REVIEWED ENTRIES | CAS 2365312-76-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 2365312-76-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
06Names and relationships
Associated parent compound
Azithromycin
View API and impurity familyOther names
- (2R,3S,4S,5R,6R,8R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxy-2,4,6,8-tetramethyl-9-[methyl-[(2R,3R,4R,5R)-3,4,5-trihydroxy-4-methylheptan-2-yl]amino]nonanoic acid
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
- S01PubChem compound record, CID 176473239
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.