CAS RN: 101666-68-6
N-Desmethyl Clarithromycin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250905 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS101666-68-6
- Purity/Analytical Methods: >99.0%
101666-68-6 / (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
N-Desmethylclarithromycin | 3''-N-Demethylclarithromycin | OS14R8NX37
Basic Information
CAS
101666-68-6
Multi CAS
Yes
Molecular Formula
C37H67NO13
Molecular Weight
733.900000
Exact Mass
733.461241
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
CIJTVUQEURKBDL-RWJQBGPGSA-N
Synonyms
N-Desmethylclarithromycin
3''-N-Demethylclarithromycin
OS14R8NX37
Erythromycin, N-demethyl-6-O-methyl-
RefChem:1091715
Computed Properties
Structural Parameters
Heavy atom count
51
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
5
Molar refractivity
186.42
TPSA
191.7
LogP / Solubility
WLOGP
2.1
MLOGP
1.91
XLogP3
2.7
Consensus LogP
2.24
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.71
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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