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Actinomycin D

CAT: 0459-002690-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0459-002690-04Size:100 mg
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CAS Number
50-76-0

Chemical Information

Dactinomycin

Actinomycin D can cause cancer and developmental toxicity according to state or federal government labeling requirements.

CAS Number50-76-0
PubChem CID457193
IUPAC Name2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Molecular FormulaC62H86N12O16
Molecular Weight1255.4
XLogP3.8
Topological Polar Surface Area356
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count90
Formal Charge0
Complexity3030
SMILES
C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C
InChI
InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1
InChIKey
RJURFGZVJUQBHK-IIXSONLDSA-N
Chemical Structure
2D Structure
2D structure of Dactinomycin
CAS: 50-76-0
CID: 457193
Formula: C62H86N12O16
MW: 1255.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1255.4
XLogP33.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass1254.62847470
Monoisotopic Mass1254.62847470
Topological Polar Surface Area356 Ų
Heavy Atom Count90
Formal Charge0
Complexity3030
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS651300-01Actinomycin D (Streptomyces antibioticus, Dactinomycin, Actinomycin IV, Actinomycin C1)
A4448-5.1Actinomycin D
MBS3847782-01Actinomycin X2
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