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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N2O7.ClH
Molecular Weight 462.88
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANHYDROTETRACYCLINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12CC3=C(C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(O)=C4C(O)=CC=CC4=C3C

InChI

InChIKey=XBSQEFHDCDFNJU-WPJNXPDPSA-N
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

HIDE SMILES / InChI

Molecular Formula C22H22N2O7
Molecular Weight 426.4193
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:30:09 UTC 2023
Edited
by admin
on Sat Dec 16 10:30:09 UTC 2023
Record UNII
OVG14H105R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANHYDROTETRACYCLINE HYDROCHLORIDE
USP-RS  
Common Name English
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)-
Systematic Name English
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)-
Systematic Name English
ANHYDROTETRACYCLINE HYDROCHLORIDE [USP-RS]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, MONOHYDROCHLORIDE
Systematic Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, MONOHYDROCHLORIDE, (4S-(4.ALPHA.,4A.ALPHA.,12A.ALPHA.))-
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1035708
Created by admin on Sat Dec 16 10:30:09 UTC 2023 , Edited by admin on Sat Dec 16 10:30:09 UTC 2023
PRIMARY
CAS
13803-65-1
Created by admin on Sat Dec 16 10:30:09 UTC 2023 , Edited by admin on Sat Dec 16 10:30:09 UTC 2023
PRIMARY
FDA UNII
OVG14H105R
Created by admin on Sat Dec 16 10:30:09 UTC 2023 , Edited by admin on Sat Dec 16 10:30:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID10929970
Created by admin on Sat Dec 16 10:30:09 UTC 2023 , Edited by admin on Sat Dec 16 10:30:09 UTC 2023
PRIMARY
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