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7-Aminodeacetoxycephalosporanic acid

7-Aminodeacetoxycephalosporanic acid structure

CAS No:
22252-43-3
Formula:
C8H10N2O3S
Chemical Name:
7-Aminodeacetoxycephalosporanic acid
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-methyl-8-oxo-,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-methyl-8-oxo-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-methyl-8-oxo-,(6R-trans)-;(6R,7R)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7-Amino-3-methyl-3-cephem-4-carboxylic acid;3-Methyl-7-amino-Δ3-cephem-4-carboxylic acid;7β-Amino-3-methylceph-3-em-4-carboxylic acid;7-Aminodeacetoxycephalosporanic acid;7-Amino-3-deacetoxycephalosporanic acid;7-Amino-3-methyl-Δ3-cephan-4-carboxylic acid;7-Amino-3-methyl-3-cephen-4-carboxylic acid;7-Aminodesacetoxycephalosporanic acid;7-Aminodeacetoxycephalexanic acid;7-β-Amino-3-methyl-3-cephem-4-carboxylic acid;Deacetoxycephalosporanic acid;3-Methyl-7-aminoceph-3-em-4-carboxylic acid;7-Amino-3-desacetoxycephalosporanic acid;7-Amino-3-methyl-Δ3-cephem-4-carboxylic acid;7-ADCA;7-Amino-3-methylcephalosporanic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Off-White Powder

7beta-aminodeacetoxycephalosporanic acid is a cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7beta-amino group. It is a monocarboxylic acid and a cephalosporin. It derives from a cephalosporanic acid.

7-Aminodeacetoxycephalosporanic acid Basic Attributes

Molecular Weight：

214.24

Exact Mass：

214.24

BRN：

5273616

EC Number：

244-870-1

UNII：

ANM3MSM8TN

DSSTox ID：

DTXSID4057687

HScode：

2941901010

Characteristics

PSA：

109

XLogP3：

-3.1

Appearance：

white to yellowish crystalline powder

Density：

1.6±0.1 g/cm3

Melting Point：

228-231 °C (decomp)

Boiling Point：

517.6°C at 760 mmHg

Flash Point：

266.8±30.1 °C

Refractive Index：

1.698

Water Solubility：

soluble in water (partly), 1M ammonium hydroxide (50 mg/ml), and DMSO (Sparingly).

Storage Conditions：

2-8°C

Vapor Pressure：

4.18E-12mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

42/43-36/37/38-20/21/22

safety instructions：

36-26

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P280-P342 + P311

Hazard Statements：

H317-H334

GHS Classification：

|Danger|H317 (98.04%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 54 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

7-ADCA

7-Aminodeacetoxycephalosporanic acid Use and Manufacturing

A metabolite of Cephalexin (C256800).

Computed Properties

Molecular Weight:214.24
XLogP3:-3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:214.04121336
Monoisotopic Mass:214.04121336
Topological Polar Surface Area:109
Heavy Atom Count:14
Complexity:353
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Price Analysis

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Guide of 7-Aminodeacetoxycephalosporanic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Price Analysis
Recommended Suppliers
Latest News
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7-Aminodeacetoxycephalosporanic acid

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