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CAS 123997-26-2 Eprinomectin molecular structure lightbox
CAS RN: 123997-26-2

Eprinomectin

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 1g In stock Shanghai Inquiry
Batchno.20250125 25g In stock Shanghai Inquiry
Batchno.20250711 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: starshine_CAS123997-26-2
  • Purity/Analytical Methods: >99.0%
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123997-26-2 / N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide

Standard CAS: 123997-26-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123997-26-2
Multi CAS
No
Molecular Formula
C49H73NO14
Molecular Weight
900.100000
Exact Mass
899.503106
SMILES
C[C@H]1/C=C\C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(\[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]([C@@H]([C@@H](O6)C)NC(=O)C)OC)OC)/C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O
InChI
InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1
InChIKey
WPNHOHPRXXCPRA-TVXIRPTOSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Fraction Csp3
0.76
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
3
Molar refractivity
234.29
TPSA
178.93

LogP / Solubility

WLOGP
5.13
MLOGP
4.6
XLogP3
3.5
Consensus LogP
4.41
Log S (ESOL)
-8.13
Class (ESOL)
Insoluble
Log S (Ali)
-10.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.73
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
Yes
Log Kp (skin permeation)
-4.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral] H361 (95.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (90.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (97.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (87.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, and P501

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