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Ansamitocin P-3

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Ansamitocin P-3 / CAS : 66584-72-3

Appearance white solid UN -
HS 29419090 DG Class -
Synonyms Ansamitocin P3; Ansamitomicin P-3; Maytansinol Isobutyrate; 2'-De(Acetylmethylamino)-2'-Methylmaytansine; Unii-7Suk7876Bg; Ansamitosin P3; (14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-Hydroxy-85,14-Dimethoxy-33,2,7,10-Tetramethyl-12,6-Dioxo-7-Aza-1(6,4)-Oxazinana-3(2,3)-Oxirana-8(1,3)-Benzenacyclotetradecaphane-10,12-Dien-4-Yl Isobutyrate; [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-21-Hydroxy-12,20-Dimethoxy-2,5,9,16-Tetramethyl-8,23-Dioxo-4,24-Dioxa-9,22-Diazatetracyclo[19.3.1.110,14.03,5]Hexacosa-10,12,14(26),16,18-Pentaen-6-Yl] 2-Methylpropanoate; Maytansine, 2'-De(Acetylmethylamino)-2'-Methyl-; Ansamitocin-P-3
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Properties

Summary

Formula
C32H43ClN2O9
Molecular Mass
635.14
Exact Mass
634.26600
PSA
136.16000
Logp
4.71740
IUPAC
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate
SMILES
CC1[C@@H]2C[C@](C(/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)\C)OC)(NC(=O)O2)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
190-192 ℃
Density
1.29 g/cm3
Boiling Point
833.1 ºC
Flash Point
457.7 ºC
Appearance
white solid
Acidity and Basicity
neutral

Export information

HS Code
29419090
Export Rebate
13%
Risk Code
R20/22-36/37/38
Safety Label
Xn

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