DEMECLOCYCLINE SESQUIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C21H21ClN2O8.3H2O
Molecular Weight	983.752
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEMECLOCYCLINE SESQUIHYDRATE

Structure Search

SMILES

O.O.O.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C4=C(O)C=CC(Cl)=C4[C@H]2O.[H][C@]56C[C@@]7([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]7(O)C(O)=C5C(=O)C8=C(O)C=CC(Cl)=C8[C@H]6O

InChI

InChIKey=GCKOPPNKZABNEH-HZIPRYSESA-N

InChI=1S/2C21H21ClN2O8.3H2O/c2*1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;;;/h2*3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);3*1H2/t2*6-,7-,14-,15-,21-;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C21H21ClN2O8
Molecular Weight	464.853
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:43:06 UTC 2023` Edited by `admin` on `Sat Dec 16 05:43:06 UTC 2023`
Record UNII	I62U5H447L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEMECLOCYCLINE SESQUIHYDRATE

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, HYDRATE (2:3), (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, HYDRATE (2:3)

Common Name

English

DEMECLOCYCLINE SESQUIHYDRATE [MI]

Common Name

English

DECLOMYCIN 1.5 HYDRATE

Common Name

English

Code System Code Type Description

MERCK INDEX

m4160

Created by admin on Sat Dec 16 05:43:06 UTC 2023 , Edited by admin on Sat Dec 16 05:43:06 UTC 2023

PRIMARY

Merck Index

FDA UNII

I62U5H447L

Created by admin on Sat Dec 16 05:43:06 UTC 2023 , Edited by admin on Sat Dec 16 05:43:06 UTC 2023

PRIMARY

PUBCHEM

71586964

Created by admin on Sat Dec 16 05:43:06 UTC 2023 , Edited by admin on Sat Dec 16 05:43:06 UTC 2023

PRIMARY

CAS

13215-10-6

Created by admin on Sat Dec 16 05:43:06 UTC 2023 , Edited by admin on Sat Dec 16 05:43:06 UTC 2023

PRIMARY

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