CAS Registry Number®
13803-65-1
CAS Name
Anhydrotetracycline hydrochloride
Molecular Formula
C22H22N2O7.ClH
Compound Properties
-
Melting Point (1)
214 °C (decomp)
Source(s)
- (1) Tatsuoka, Sueo; Yakugaku Zasshi, (1955), 75, 1362-6, CAplus
Other Names and Identifiers
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;/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16-,22-;/m0./s1
InChIKey
InChIKey=XBSQEFHDCDFNJU-WPJNXPDPSA-N
SMILES
O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(CC=3C(C2=O)=C(O)C=4C(C3C)=CC=CC4O)[H].Cl
Canonical SMILES
Cl.O=C(N)C=1C(=O)C2(O)C(=O)C=3C(O)=C4C(O)=CC=CC4=C(C3CC2C(C1O)N(C)C)C
Other Names for this Substance
- 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)-
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, monohydrochloride
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, monohydrochloride, [4S-(4α,4aα,12aα)]-
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, monohydrochloride, (4S,4aS,12aS)-
- Anhydrotetracycline hydrochloride
Deleted or Replaced CAS Registry Numbers
101812-44-6
