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CAS 10592-13-9 Doxycycline hydrochloride molecular structure lightbox
CAS RN: 10592-13-9

Doxycycline hydrochloride

Product Availability

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100g In stock Shanghai Inquiry
Batchno.20250621 10g In stock Shanghai Inquiry
Batchno.20250404 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250925 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260522 25g In stock Shanghai Inquiry
Batchno.20250924 500g In stock Shanghai Inquiry
Batchno.20250520 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-007576
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10592-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

10592-13-9 / (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride

Doxycyclinehydrochloride | 6-Desoxy-5-hydroxytetracyclin | SCHEMBL29763226

Standard CAS: 10592-13-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10592-13-9
Multi CAS
Yes
Molecular Formula
C22H25ClN2O8
Molecular Weight
480.900000
Exact Mass
480.129944
SMILES
C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
InChI
InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
InChIKey
PTNZGHXUZDHMIQ-CVHRZJFOSA-N
Synonyms
Doxycyclinehydrochloride 6-Desoxy-5-hydroxytetracyclin SCHEMBL29763226 PTNZGHXUZDHMIQ-UHFFFAOYSA-N PD055376

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
6
Molar refractivity
117.59
TPSA
181.62

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.04
XLogP3
-0.08
Consensus LogP
-0.07
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (80.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (56.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (56.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (56.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360 (20.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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