dacomitinib metabolite m2 (Q27289308)

UNII-SOA52D3NLL (English)

14 October 2016

chemical formula

C₂₇H₃₂ClFN₆O₄S

1 reference

UNII-SOA52D3NLL (English)

14 October 2016

canonical SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)CC(CN4CCCCC4)SCC(C(=O)O)N

1 reference

UNII-SOA52D3NLL (English)

14 October 2016

isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)CC(CN4CCCCC4)SC[C@@H](C(=O)O)N

1 reference

UNII-SOA52D3NLL (English)

InChI=1S/C27H32ClFN6O4S/c1-39-24-12-22-18(26(32-15-31-22)33-16-5-6-20(29)19(28)9-16)11-23(24)34-25(36)10-17(40-14-21(30)27(37)38)13-35-7-3-2-4-8-35/h5-6,9,11-12,15,17,21H,2-4,7-8,10,13-14,30H2,1H3,(H,34,36)(H,37,38)(H,31,32,33)/t17?,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-SOA52D3NLL (English)

JACXJKYDLZNKQS-LFABVHOISA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-SOA52D3NLL (English)

14 October 2016

1 reference

UNII

SOA52D3NLL

dacomitinib metabolite m2 (English)

14 October 2016

1 reference

S-[4-({4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}amino)-4-oxo-1-(1-piperidinyl)-2-butanyl]-L-cysteine (English)

14 October 2016

2 references

UNII-SOA52D3NLL (English)

matched by identifier from

14 October 2016

InChIKey

JACXJKYDLZNKQS-LFABVHOISA-N

1 reference

2 references

Global Substance Registration System

UNII

SOA52D3NLL

dacomitinib metabolite m2 (English)