(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one dihydrate

Compound number:
MolPort-000-703-093
CAS number: 117772-70-0
IUPAC:
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one dihydrate
IUPAC traditional:
tromix
SMILES:
O.O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r|
InChI key:
SRMPHJKQVUDLQE-KUJJYQHYSA-N
Molecular formula:
C38H76N2O14
Molecular weight: 785.026

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 20 business days Purity: n/a
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Catalog: Screening compound Ships out: 10 business days Purity: n/a
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10 µmol September 5, 2019 63.00 USD
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20 µmol September 5, 2019 73.00 USD
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Catalog: Screening compound Ships out: 10 business days Purity: n/a
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100 mg September 5, 2019 85.00 USD
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250 mg September 5, 2019 110.00 USD
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Catalog: Building blocks Ships out: 2 business days Purity: 98.00%
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Catalog: Building blocks Ships out: 7 business days Purity: 99%
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More Information

Compound Identifiers
Compound number: MolPort-000-703-093
CAS number: 117772-70-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000085537026
MFCD01862248
Azithromycin dihydrate
Azithromycin (hydrate)
CP-62993 dihydrate

InChI
InChI: 1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;/m1../s1
InChI key: SRMPHJKQVUDLQE-KUJJYQHYSA-N

Calculated Properties
Molecular formula: C38H76N2O14
Molecular weight: 785.026

Other

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2019 MolPort, v3.09, release date 20-08-2019 16:00 (+0200). All rights reserved.
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