Anhydrotetracycline hydrochloride, min.98% (HPLC)

Name: Anhydrotetracycline hydrochloride
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

13803-65-1

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IUPAC name	(4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
inchi	InChI=1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16-,22-;/m0./s1
inchi key	SPFAOPCHYIJPHJ-WPJNXPDPSA-N
molecular formula	C22H23ClN2O7
synonyms	Anhydrotetracycline hydrochloride 13803-65-1 Anhydrotetracycline (hydrochloride) 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, hydrochloride (1:1), (4S,4aS,12aS)- OVG14H105R

Computed Properties

Molecular Weight:	462.9 g/mol
Hydrogen Bond Donor Count:	6
Hydrogen Bond Acceptor Count:	8
Rotatable Bond Count:	2
Exact Mass:	462.1193788 Da
Monoisotopic Mass:	462.1193788 Da
Topological Polar Surface Area:	161 Å²
Heavy Atom Count:	32
Formal Charge:	0
Complexity:	855
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	3
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) Repr. 2 (100%) STOT SE 3 (100%) Lact. (100%)
precautionary statement codes	P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

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Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
inchi	InChI=1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16-,22-;/m0./s1
inchi key	SPFAOPCHYIJPHJ-WPJNXPDPSA-N
molecular formula	C22H23ClN2O7
synonyms	Anhydrotetracycline hydrochloride 13803-65-1 Anhydrotetracycline (hydrochloride) 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, hydrochloride (1:1), (4S,4aS,12aS)- OVG14H105R

Computed Properties

Molecular Weight:	462.9 g/mol
Hydrogen Bond Donor Count:	6
Hydrogen Bond Acceptor Count:	8
Rotatable Bond Count:	2
Exact Mass:	462.1193788 Da
Monoisotopic Mass:	462.1193788 Da
Topological Polar Surface Area:	161 Å²
Heavy Atom Count:	32
Formal Charge:	0
Complexity:	855
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	3
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) Repr. 2 (100%) STOT SE 3 (100%) Lact. (100%)
precautionary statement codes	P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Product No: DT7898

Anhydrotetracycline hydrochloride, min.98% (HPLC)

Product No: DT7898

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: DT7898

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?