2-ACETYL-2-DECARBAMOYLDOXYCYCLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H25NO8
Molecular Weight	443.4465
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ACETYL-2-DECARBAMOYLDOXYCYCLINE

Structure Search

SMILES

[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(C)=O)=C(O)[C@@H](N(C)C)[C@]4([H])[C@H]2O

InChI

InChIKey=MVCRKRBIKNEKEE-ACDFWTBPSA-N

InChI=1S/C23H25NO8/c1-8-10-6-5-7-11(26)14(10)18(27)15-12(8)19(28)16-17(24(3)4)20(29)13(9(2)25)21(30)23(16,32)22(15)31/h5-8,12,16-17,19,26,28-29,31-32H,1-4H3/t8-,12+,16+,17-,19-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H25NO8
Molecular Weight	443.4465
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:27:25 GMT 2023` Edited by `admin` on `Sat Dec 16 05:27:25 GMT 2023`
Record UNII	YXY6C0J4ZX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-ACETYL-2-DECARBAMOYLDOXYCYCLINE

Common Name

English

1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-, (4S,4AR,5S,5AR,6R,12AS)-

Common Name

English

DOXYCYCLINE HYCLATE IMPURITY F [EP IMPURITY]

Common Name

English

(4S,4AR,5S,5AR,6R,12AS)-2-ACETYL-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-4A,5A,6,12ATETRAHYDROTETRACENE-1,11(4H,5H)-DIONE

Common Name

English

DOXYCYCLINE MONOHYDRATE IMPURITY F [EP IMPURITY]

Common Name

English

1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,12A.ALPHA.))-

Common Name

English

DOXYCYCLINE IMPURITY F

Common Name

English

Code System Code Type Description

PUBCHEM

71587454

Created by admin on Sat Dec 16 05:27:25 GMT 2023 , Edited by admin on Sat Dec 16 05:27:25 GMT 2023

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CAS

122861-53-4

Created by admin on Sat Dec 16 05:27:25 GMT 2023 , Edited by admin on Sat Dec 16 05:27:25 GMT 2023

PRIMARY

FDA UNII

YXY6C0J4ZX

Created by admin on Sat Dec 16 05:27:25 GMT 2023 , Edited by admin on Sat Dec 16 05:27:25 GMT 2023

PRIMARY

EPA CompTox

DTXSID401101449

Created by admin on Sat Dec 16 05:27:25 GMT 2023 , Edited by admin on Sat Dec 16 05:27:25 GMT 2023

PRIMARY

Related Record Type Details


					19XTS3T51U

DOXYCYCLINE HYCLATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: