CLOMOCYCLINE SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24ClN2O9.Na
Molecular Weight	530.887
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC(Cl)=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C([O-])[C@H]2N(C)C

InChI

InChIKey=VAGGWVXDNQZWRW-XGPCLQEUSA-M

InChI=1S/C23H25ClN2O9.Na/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22;/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33);/q;+1/p-1/t8-,9-,16-,22-,23-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C23H24ClN2O9
Molecular Weight	507.898
Charge	-1
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 09:23:49 UTC 2023` Edited by `admin` on `Sat Dec 16 09:23:49 UTC 2023`
Record UNII	V4JNK46U1U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLOMOCYCLINE SODIUM

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-N-(HYDROXYMETHYL)-6-METHYL-1,11-DIOXO-, MONOSODIUM SALT, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-

Systematic Name

English

2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-N-(HYDROXYMETHYL)-6-METHYL-1,11-DIOXO-, MONOSODIUM SALT

Common Name

English

MONOSODIUM CHLORMETHYLENECYCLINE

Common Name

English

Code System Code Type Description

CAS

68-20-2