Dactinomycin
2-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 Identity
Dactinomycin
2-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
PubChem CID: 457193
Actinomycin D can cause cancer and developmental toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C62H86N12O16
Molecular Formula
1255.40
Molecular Weight
g/mol
1254.6285
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
356
TPSA
May have limited oral absorption
5
H-Bond Donors
18
H-Bond Acceptors
3030
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(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)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)CIsomeric SMILES
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)CSynonyms(20)
DACTINOMYCINactinomycin DActinomycin C1CosmegenActinomycin IVMeractinomycin50-76-0Oncostatin KActinomycin I1Actinomycin X1DactinomicinaDactinomycineDactinomycinumCosmegen LyovacLyovac-Cosmegen
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dactinomycin
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