Maytansinol
Properties
- Molecular formula
- C28H37ClN2O8
- Molar mass
- 565.06 g/mol
- Exact mass
- 564.2238 Da
- logP
- 3.12Crippen estimate
- Polar surface area
- 130.1 Ų
- H-bond donors / acceptors
- 3 / 8
- Rotatable bonds
- 2
- Stereocentres
- R, S, S, R, S, S, Sin SMILES atom order
- Double bonds
- E, EE/Z, in SMILES order
Hazards
Danger
- H300 Fatal if swallowed66.7% of notifiers
- H301 Toxic if swallowed33.3% of notifiers
- H310 Fatal in contact with skin66.7% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H314 Causes severe skin burns and eye damage66.7% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H318 Causes serious eye damage33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H330 Fatal if inhaled66.7% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H340 May cause genetic defects66.7% of notifiers
- H351 Suspected of causing cancer33.3% of notifiers
- H360 May damage fertility or the unborn child33.3% of notifiers
- H370 Causes damage to organs33.3% of notifiers
- H371 May cause damage to organs33.3% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
57103-68-1SMILES
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC)(NC(=O)O2)OInChIKey
QWPXBEHQFHACTK-RZKXNLMUSA-NInChI
InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21+,22-,25+,27+,28+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Maytansinol
Similar compounds
Dm4796073-69-373 % similar
[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-Chloro-12,21-dihydroxy-20-methoxy-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-methylpropanoate72902-38-672 % similar
Ansamitocin P 366584-72-365 % similar
Dm1-smcc1228105-51-863 % similar
Maytansinoid dm4799840-96-360 % similar
Mertansine139504-50-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.