Dalbavancin CAS 171500-79-1

Dalbavancin CAS 171500-79-1

Identification

CAS Number

171500-79-1

Name

Dalbavancin

Synonyms

(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-Dichlor-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D-mannopyranosyloxy)-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa -20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46 ,48,50,62,65-henicosaen-64-yl-2-desoxy-2-[(1 [German] [ACD/IUPAC Name]
171500-79-1 [RN]
Acide 2-désoxy-2-[(10-méthylundecanoyl)amino]-β-D-glucopyranosiduronique de (1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-52-{[3-(diméthylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(alph a-D-mannopyranosyloxy)-22-(méthylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundécacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046, 51]hexahexaconta-3,5,8(64),9,11,14,16,23(61 [French] [ACD/IUPAC Name]
B0U42518WL
Dalbavancin [INN] [USAN] [Wiki]
BI 397
dalbavancin B0
dalbavancin hcl
Dalvance [Trade name]
Dalvance;MDL-63397;BI-397
MDL-63397
UNII-808UI9MS5K

SMILES

CC(C)CCCCCCCCC(=O)N[[email protected]@H]1[[email protected]]([[email protected]@H]([[email protected]](O[[email protected]]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[[email protected]]([[email protected]]6C(=O)N[[email protected]@H](c7cc(cc(c7-c8cc(ccc8O)[[email protected]](C(=O)N6)NC(=O)[[email protected]@H]4NC(=O)[[email protected]@H]9c1cc(cc(c1Cl)O)Oc1cc(ccc1O)[[email protected]](C(=O)N[[email protected]](Cc1ccc(cc1)O3)C(=O)N9)NC)O[[email protected]@H]1[[email protected]]([[email protected]]([[email protected]@H]([[email protected]](O1)CO)O)O)O)O)C(=O)NCCCN(C)C)O)C(=O)O)O)O

StdInChI

InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1

StdInChIKey

KGPGQDLTDHGEGT-SZUNQUCBSA-N

Molecular Formula

C88H100Cl2N10O28

Molecular Weight

1816.69

Properties

Appearance

White to tan powder

Safety Data

WGK Germany

3

Specifications and Other Information of Our Dalbavancin CAS 171500-79-1

Identification Methods

HPLC

Purity

98% min

Colour And Clarity Of Solution (ChP)

The solution is clear and not more intensely colored than reference solution Y4 or OY4.

pH

20~3.0

Chloride Ion

2.4%~3.5%

Residue solvents

Methanol

≤0.3%

Ethanol

≤0.5%

Acetone

≤1.0%

Isopropyl alcohol

≤0.5%

Acetonitrile

≤0.041%

N, N-dimethylformamide

≤0.088%

Water

10.0%~20.0%

Heavy Metal

≤20ppm

Residue on Ignition

≤0.2%

Component Distribution(%AUC)

B0

≥80.0%

A0+A1

≤5.0%

B1+B2

≤8.0%

Related Substances(%AUC)

MAG (RRT≈0.13)

≤3.0%

ISOB0 (RRT≈0.84)

≤1.5%

Any individual unknown impurity

≤0.2%

Total impurities (except A0, A1, B1 and B2)

≤5.0%

Assay (On the anhydrous Basis)

85.0%~100.0%

Shelf Life

2 years

Storage

Store at -20℃ for long time; Preserve in sealed in containers.

Known Application

Dalbavancin is a new semisynthetic glycopeptide antibiotic. It can effectively inhibit the cell wall biosynthesis of G + bacteria, and is widely used as a medicine for treating skin and soft tissue infections.

This product is developed by our R&D company Caming Pharmaceutical Ltd(http://www.caming.com/), and here is the corresponding linkhttp://www.caming.com/dalbavancin-cas-171500-79-1/

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