(4S,4AS,5AR,12AS)-9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N4O7.ClH
Molecular Weight	508.952
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4S,4AS,5AR,12AS)-9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HYDROCHLORIDE

Structure Search

SMILES

Cl.[H][C@@]12CC3=C(C=C(N)C(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]4([H])C2)N(C)C

InChI

InChIKey=KYFXMIINWSZGCG-KBTHSJHISA-N

InChI=1S/C23H28N4O7.ClH/c1-26(2)12-7-11(24)17(28)14-9(12)5-8-6-10-16(27(3)4)19(30)15(22(25)33)21(32)23(10,34)20(31)13(8)18(14)29;/h7-8,10,16,28,30-31,34H,5-6,24H2,1-4H3,(H2,25,33);1H/t8-,10-,16-,23-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H28N4O7
Molecular Weight	472.491
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
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 10:33:08 UTC 2023` Edited by `admin` on `Sat Dec 16 10:33:08 UTC 2023`
Record UNII	EEJ33M2LLB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4S,4AS,5AR,12AS)-9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HYDROCHLORIDE

Systematic Name

English

TIGECYCLINE RELATED COMPOUND B [USP-RS]

Common Name

English

2-NAPHTHACENECARBOXAMIDE, 9-AMINO-4,7-BIS(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, HYDROCHLORIDE (1:1), (4S,4AS,5AR,12AS)-

Systematic Name

English

TIGECYCLINE RELATED COMPOUND B [USP IMPURITY]

Common Name

English

9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HYDROCHLORIDE, (4S,4AS,5AR,12AS)-

Systematic Name

English

TIGECYCLINE RELATED COMPOUND B

Common Name

English

Code System Code Type Description

FDA UNII

EEJ33M2LLB

Created by admin on Sat Dec 16 10:33:08 UTC 2023 , Edited by admin on Sat Dec 16 10:33:08 UTC 2023

PRIMARY

RS_ITEM_NUM

1667665

Created by admin on Sat Dec 16 10:33:08 UTC 2023 , Edited by admin on Sat Dec 16 10:33:08 UTC 2023

PRIMARY

EPA CompTox

DTXSID80716415

Created by admin on Sat Dec 16 10:33:08 UTC 2023 , Edited by admin on Sat Dec 16 10:33:08 UTC 2023

PRIMARY

CAS

149934-21-4

Created by admin on Sat Dec 16 10:33:08 UTC 2023 , Edited by admin on Sat Dec 16 10:33:08 UTC 2023

PRIMARY

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