4-EPIANHYDROTETRACYCLINE HYDROCHLORIDE

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 4-EPIANHYDROTETRACYCLINE HYDROCHLORIDE

Structure Search

SMILES

Cl.[H][C@@]12CC3=C(C)C4=CC=CC(O)=C4C(O)=C3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]2N(C)C

InChI

InChIKey=XBSQEFHDCDFNJU-MOMXNFOMSA-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	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:18:13 UTC 2023` Edited by `admin` on `Sat Dec 16 10:18:13 UTC 2023`
Record UNII	06Y7HM8DBA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-EPIANHYDROTETRACYCLINE HYDROCHLORIDE

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, (4R,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, (4R-(4.ALPHA.,4A.BETA.,12A.BETA.))-

Systematic 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), (4R,4AS,12AS)-

Systematic Name

English

4-EPIANHYDROTETRACYCLINE 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, 4-EPIMER

Systematic Name

English

Code System Code Type Description

CAS

4465-65-0

Created by admin on Sat Dec 16 10:18:13 UTC 2023 , Edited by admin on Sat Dec 16 10:18:13 UTC 2023

PRIMARY

RS_ITEM_NUM

1236506

Created by admin on Sat Dec 16 10:18:13 UTC 2023 , Edited by admin on Sat Dec 16 10:18:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID40873790

Created by admin on Sat Dec 16 10:18:13 UTC 2023 , Edited by admin on Sat Dec 16 10:18:13 UTC 2023

PRIMARY

FDA UNII

06Y7HM8DBA

Created by admin on Sat Dec 16 10:18:13 UTC 2023 , Edited by admin on Sat Dec 16 10:18:13 UTC 2023

PRIMARY

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