CAS 10592-13-9 Doxycycline hydrochloride molecular structure

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CAS RN: 10592-13-9

Doxycycline hydrochloride

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9 package records9 with current stock3 grade groups

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250702	1ml	In stock		Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
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.	Package	Availability	Warehouse	Inquiry
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

Aromatic heavy atom count

Fraction Csp3

0.41

Rotatable bonds

H-bond acceptors

H-bond donors

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

P-gp substrate

Yes

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-5.71

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

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