Identification
Properties
Safety Data
Specifications and Other Information
Links
Identification
CAS Number
162808-62-0
Name
Caspofungin
Synonyms
162808-62-0 [
RN] Cancidas [Trade name] Caspofungin [
INN] [Wiki] caspofungina [Spanish] [
INN] caspofungine [French] [
INN] caspofunginum [Latin] [
INN] N-{(
2R,
6S,
9S,
11R,
12S,14aS,
15S,
20S,
23S,25aS)-12-[(2-Aminoethyl)amino]-20-[(
1R)-3-amino-1-hydroxypropyl]-23-[(
1S,
2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(
1R)-1-hydroxyethyl]-5, 8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamid [German] [
ACD/
IUPAC Name] N-{(
2R,
6S,
9S,
11R,
12S,14aS,
15S,
20S,
23S,25aS)-12-[(2-Aminoethyl)amino]-20-[(
1R)-3-amino-1-hydroxypropyl]-23-[(
1S,
2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(
1R)-1-hydroxyethyl]-5, 8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide [
ACD/
IUPAC Name] N-{(
2R,
6S,
9S,
11R,
12S,14aS,
15S,
20S,
23S,25aS)-12-[(2-Aminoéthyl)amino]-20-[(
1R)-3-amino-1-hydroxypropyl]-23-[(
1S,
2S)-1,2-dihydroxy-2-(4-hydroxyphényl)éthyl]-2,11,15-trihydroxy-6-[(
1R)-1-hydroxyéthyl]-5, 8,14,19,22,25-hexaoxotétracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohénicosin-9-yl}-10,12-diméthyltétradécanamide [French] [
ACD/
IUPAC Name] Tetradecanamide, N-[(
2R,
6S,
9S,
11R,
12S,14aS,
15S,
20S,
23S,25aS)-12-[(2-aminoethyl)amino]-20-[(
1R)-3-amino-1-hydroxypropyl]-23-[(
1S,
2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]tetracosahydro-2,11,15-trihyd roxy-6-[(
1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacycloheneicosin-9-yl]-10,12-dimethyl- [
ACD/Index Name] (
3S,
6S,
9S,
11R,
15S,
18S,
20R,
21S,
24S,
25S)-21-(2-Aminoethylamino)-3-[3-amino-1(R)-hydroxypropyl]-6-[1(S),2(S)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-18-(10,12-dimethyltetradecanamido)-11,20,25-trihydroxy-15-[1(R)-hydroxyethyl]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0(9,13)]heptacosane-2,5,8,14,17,23-hexaone diacetate (
4R,
5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide1-[(
4R,
5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(
3R)-3-hydroxy-L-ornithine]-pneumocandin
B0 ,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide L-743,872
M991 N-{(
2R,
6S,
9S,
11R,
12S,14aS,
15S,
20S,
23S,25aS)-12-[(2-aminoethyl)amino]-20-[(
1R)-3-amino-1-hydroxypropyl]-23-[(
1S2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(
1R)-1-hydroxyethyl]-5,8
Molecular Structure
Structure of Caspofungin CAS 162808-62-0
SMILES
CCC(C)
CC(C)
CCCCCCCCC(=O)N[C@H]
1C[C@H]([C@H](
NC(=O)[C@@H]2[C@H](
CCN2C(=O)[C@@H](
NC(=O)[C@@H](
NC(=O)[C@@H]
3C[C@H](
CN3C(=O)[C@@H](
NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](
CCN)O)O)
NCCN)O
StdInChI
InChI=
1S/
C52H88N10O15/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/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)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
StdInChIKey
InChI=
1S/
C52H88N10O15/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/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)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
Molecular Formula
C52H88N10O15 Molecular Weight
1093.31
Properties
Appearance
White powder
Safety Data
WGK Germany
3
RTECS
TP8046500 Specifications and Other Information of Our Caspofungin CAS 162808-62-0
Standard
Enterprise standard
Identification Methods
HNMR/
HPLC Purity
97%min
Storage
Under the room temperature and away from light
Application
Used used as antifungal agents. For the treatment of invasive Aspergillus humanity, or for standard antifungal therapy did not answer or can not tolerate the treatment of patients with aspergillosis.
Links
This product is developed by our RandD company Caming Pharmaceutical Ltd(
http://www.caming.com/), and here is the corresponding link
http://www.caming.com/caspofungin-cas-162808-62-0/
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andD purpose. It may be toxic or hazardous, and should be handled only by qualified individuals trained in laboratory procedures. The buyer will be responsible to warn and inform any person that may be in contact with the product of the potential risks and hazards, as well as to ensure that purchase, use and disposal of the product comply with local laws and regulations.