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Omadacycline hydrochloride
[CAS# 1196800-39-1]

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CAS#: 1196800-39-1
Product: Omadacycline hydrochloride
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Identification
Name Omadacycline hydrochloride
Molecular Structure CAS#: 1196800-39-1, Omadacycline hydrochloride
Molecular Formula C29H40N4O7.HCl
Molecular Weight 593.11
CAS Registry Number 1196800-39-1
SMILES CC(C)(C)CNCC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C.Cl
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
InChIKey XFPTUHUKKFUSNF-XGLFQKEBSA-N
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