AG01EOSG

Name: Omadacycline hydrochloride
Brand: Angene Chemical
SKU: AG01EOSG

1196800-39-1 | Omadacycline hydrochloride

AG01EOSG

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CAS Number	1196800-39-1
Catalog Number	AG01EOSG(AGN-PC-3H46IH)
Chemical Name	Omadacycline hydrochloride
IUPAC Name	(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
InChI	InChI=1S/C29H40N4O7.ClH/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34;/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39);1H/t13-,16-,21-,29-;/m0./s1
InChI Key	XFPTUHUKKFUSNF-XGLFQKEBSA-N
MDL Number	MFCD30738014
Molecular Formula	C29H41ClN4O7
Molecular Weight	593.1114
SMILES	C1(O)[C@@H](N(C)C)[C@]2([H])C[C@]3([H])CC4=C(N(C)C)C=C(CNCC(C)(C)C)C(O)=C4C(=O)C3=C(O)[C@]2(O)C(=O)C=1C(N)=O.Cl
Synonyms	Omadacycline (hydrochloride), 1196800-39-1, Omadacycline xhydrochloride, Omadacycline hydrochloride, CHEMBL3942449, HY-14865C, CS-6352,

Complexity	1140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	592.266g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	593.118g/mol
Monoisotopic Mass	592.266g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	177A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited