demeclocycline

Name: demeclocycline
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 8317

CAS 127-33-3C21H21ClN2O8MW 464.9

demeclocycline (CAS 127-33-3) — formula C21H21ClN2O8, molecular weight 464.9.

Specifications

CAS Number127-33-3

Molecular FormulaC21H21ClN2O8

Molecular Weight464.9

LogP0.7

ApplicationsUse Classification: Pharmaceuticals

Where it is used

Documented applications: Use Classification: Pharmaceuticals.

Purchase Profile

What this product is

demeclocycline is a chemical compound with CAS registry number 127-33-3 and molecular formula C21H21ClN2O8 (molecular weight 464.9).

Identification

CAS number: 127-33-3

Its molecular formula C21H21ClN2O8 comprises 21 C, 21 H, 1 Cl, 2 N, 8 O atoms.

Also known as: demeclocycline

Frequently Asked Questions

What is the CAS number of demeclocycline?

The CAS registry number of demeclocycline is 127-33-3.

What is the molecular formula and molecular weight of demeclocycline?

Molecular formula C21H21ClN2O8, molecular weight 464.9.

What other names is demeclocycline known by?

It is also registered under: demeclocycline.

What are the documented applications of demeclocycline?

Recorded applications: Use Classification: Pharmaceuticals.

PubChem Public Data

Public-database records for demeclocycline (CAS 127-33-3), reproduced here for independent cross-checking.

Physical description and handling notes

196.04 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
207.03 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
194.63 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
205.37 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

How this substance is indexed

CAS Registry Number	127-33-3
PubChem CID	54680690
分子式	C21H21ClN2O8
IUPAC 名称	(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
UNII（FDA）	5R5W9ICI6O

Names this substance appears under

demeclocycline; Demethylchlortetracycline; 127-33-3; DMCT; Ledermycin; 6-Demethyl-7-chlorotetracycline; Demethylchlortetracyclin; Demeclociclina; 7-Chloro-6-demethyltetracycline; Demeclocyclinum; Clortetrin; Declomycin; Demethylchlorotetracycline; Demethylchlortetracyclinum; 6-Demethylchlorotetracycline; Tri-demethylchlortetracycline

Computed molecular descriptors

分子量	464.9
XLogP3	0.7
氢键供体数	6
氢键受体数	9
可旋转键数	2
精确质量	464.0986433
单同位素质量	464.0986433
拓扑极性表面积	182
重原子数	32
形式电荷	0

Database abstract

demeclocycline · CAS 127-33-3 · C21H21ClN2O8. UNII 5R5W9ICI6O.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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