N-Acetyl-Calicheamicin structure, CAS 108212-76-6

N-Acetyl-Calicheamicin

CAS Number108212-76-6

Synonyms

Molecular FormulaC57H76IN3O22S4

Molecular Weight1410.41

Purity

Density

Boiling Point

Melting Point

Flash Point

Appearance

EINECS

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Symbol

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Cat. No.: 2A-2188183 Purity:
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Quality Control of [ 108212-76-6 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number108212-76-6
Catalog No.2A-2188183
Chinese NameN-乙酰基加利车霉素
Molecular FormulaC57H76IN3O22S4
Molecular Weight1410.41
Storage Condition2-8℃
ApplicationN-Acetyl-Calicheamicin is a class of highly active anti-tumor antibiotics.
PubChem ID340126185
MDL NumberC57H76IN3O22S4
SMILESCCN(C(C)=O)C1COC(OC2C(OC3C#CC=CC#CC4(O)CC(=O)C(NC(=O)OC)=C3C4=CCSSSC)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(I)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC
InChIInChI=1S/C57H76IN3O22S4/c1-13-61(30(6)62)32-25-76-37(23-36(32)71-7)81-50-45(66)42(27(3)78-55(50)80-35-18-16-14-15-17-20-57(70)24-34(64)43(59-56(69)75-11)40(35)31(57)19-21-85-87-84-12)60-83-38-22-33(63)52(29(5)77-38)86-53(68)39-26(2)41(58)48(51(74-10)47(39)72-8)82-54-46(67)49(73-9)44(65)28(4)79-54/h14-15,19,27-29,32-33,35-38,42,44-46,49-50,52,54-55,60,63,65-67,70H,13,21-25H2,1-12H3,(H,59,69)/b15-14-,31-19?/t27-,28+,29-,32+,33+,35+,36+,37+,38+,42-,44+,45+,46-,49-,50-,52-,54+,55+,57+/m1/s1
InChI KeyWPDOZYZAJKUVRZ-DPACUSKXSA-N
Transport InfoProduct name: N-Acetyl-Calicheamicin
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