CAS
857532-43-5 Purity
96%
857532-43-5 Purity
96%
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Ambamustine
CAS
85754-59-2
Catalog Number
ACM85754592
Category
Other Products
Molecular Weight
629.621
Molecular Formula
C29H39Cl2FN4O4S
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Specification
Synonyms
Ambamustine, Ambamustine [INN], UNII-IB1H345F24, CID178137, LS-187183, 85754-59-2, N-(3-(m-(Bis(2-chloroethyl)amino)phenyl)-N-(3-(p-fluorophenyl)-L-alanyl)-L-alanyl)-L-methionine, ethyl ester
IUPAC Name
ethyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate
Canonical SMILES
CCOC(=O)C(CCSC)NC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=C(C=C2)F)N
InChI Key
XPGDODOEEWLHOI-GSDHBNRESA-N
Boiling Point
844.8ºC at 760 mmHg
Flash Point
464.7ºC
Density
1.267g/cm³
Exact Mass
628.20500
H-Bond Acceptor
7
H-Bond Donor
3
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