Caspofungin acetate

Catalog Number: BC-0369

CAS Number: 179463-17-3

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Specifications

Product Information
Molecular Formula	C₅₂H₈₈N₁₀O₁₅· 2C₂HO₂
Molecular Weight	1213.42
Purity	≥95%
SMILES	CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O
InChi	InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;21-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);21H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38+,40+,41+,42+,43?,44+,45+,46+;;/m1../s1
InChi Key	OGUJBRYAAJYXQP-CPYUAZPCSA-N
Alternate Name	1-[(4R,5S)-5-[(2-Aminoethyl)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0; L 743872; MK 0991)
Appearance	White to off-white solid

Properties
Storage Conditions	-20°C
Shipping Conditions	Gel Pack
Solubility	H₂O (~ 15 mg/ml)

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