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DOXO-EMCH

DOXO-EMCH structure

CAS No:
151038-96-9
Formula:
C37H42N4O13
Chemical Name:
DOXO-EMCH
Synonyms:
1H-Pyrrole-1-hexanoic acid,2,5-dihydro-2,5-dioxo-,2-[1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide;1H-Pyrrole-1-hexanoic acid,2,5-dihydro-2,5-dioxo-,[1-[4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide,(2S-cis)-;1H-Pyrrole-1-hexanoic acid,2,5-dihydro-2,5-dioxo-,[1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide;DOXO-EMCH;Doxorubicin-EMCH;1448631-80-8
Categories:
Organic Chemistry > Hydrazine or Hydroxylamine Derivatives

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DOXO-EMCH Basic Attributes

Molecular Weight：

750.74838

Exact Mass：

750.75

Characteristics

PSA：

268 Å²

Density：

1.6

Safety Information

safety instructions：

23-24/25

GHS Classification：

|Danger|H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]|P201, P202, P281, P308+P313, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

doxorubicin(6-maleimidocaproyl)hydrazone|Aldoxo

Computed Properties

Molecular Weight:750.7
XLogP3:1.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:12
Exact Mass:750.27483741
Monoisotopic Mass:750.27483741
Topological Polar Surface Area:268
Heavy Atom Count:54
Complexity:1510
Undefined Atom Stereocenter Count:6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes