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Isochlortetracycline

Isochlortetracycline structure

CAS No:
514-53-4
Formula:
C22H23ClN2O8
Chemical Name:
Isochlortetracycline
Synonyms:
2-Naphthalenecarboxamide,6-[(1S)-7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-,(4S,4aS,6S,8aS)-;2-Naphthalenecarboxamide,6-(7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl)-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-,[4S-[4α,4aα,6β(R*),8aα]]-;Phthalide,3-[6-carbamoyl-8-(dimethylamino)-1,2,3,4,4a,5,8,8a-octahydro-4a,7-dihydroxy-4,5-dioxo-2-naphthyl]-4-chloro-7-hydroxy-3-methyl-;(4S,4aS,6S,8aS)-6-[(1S)-7-Chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxamide;Isoaureomycin;Isochlortetracycline;7-Chloroisotetracycline;Iso-chlorotetracycline;3733-98-0;13269-20-0;29724-57-0;51209-77-9
Categories:
Active Pharmaceutical Ingredients > Antibiotics

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Description

Pale Yellow Solid

Isochlortetracycline Basic Attributes

Molecular Weight：

515.344

Exact Mass：

478.88

UNII：

CO2NHD53YP

Characteristics

PSA：

167.46000

XLogP3：

2.07020

Density：

1.61g/cm3

Melting Point：

195-197 °C

Boiling Point：

743.1ºC at 760mmHg

Flash Point：

403.2ºC

Storage Conditions：

Amber Vial, -20°C Freezer, Under Inert Atmosphere

Isochlortetracycline Use and Manufacturing

An inactive metabolite of Chlortetracycline (CTC).

Computed Properties

Molecular Weight:478.9
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:478.1142934
Monoisotopic Mass:478.1142934
Topological Polar Surface Area:168
Heavy Atom Count:33
Complexity:966
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes