rucaparib camsylate (Q27258428)

UNII-41AX9SJ8KO (English)

14 October 2016

chemical formula

C₂₉H₃₄FN₃O₅S

1 reference

UNII-41AX9SJ8KO (English)

14 October 2016

canonical SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2)F

1 reference

UNII-41AX9SJ8KO (English)

14 October 2016

isomeric SMILES

CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2.CNCC3=CC=C(C=C3)C4=C5CCNC(=O)C6=CC(F)=CC(N4)=C56

1 reference

14 February 2018

C131178

1 reference

UNII

41AX9SJ8KO

InChI=1S/C19H18FN3O.C10H16O4S/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.1/s1

14 February 2018

Identifiers

InChI

1 reference

UNII-41AX9SJ8KO (English)

14 October 2016

2 references

UNII-41AX9SJ8KO (English)

14 October 2016

14 February 2018

2 references

14 February 2018

https://commonchemistry.cas.org/detail?cas_rn=1859053-21-6

9 April 2021

1 reference

Rucaparib camsylate (English)

14 October 2016

2 references

UNII-41AX9SJ8KO (English)

14 October 2016

ChEBI ID

134692

mapping relation type

exact match

3 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C19H18FN3O.C10H16O4S/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.1/s1

1 reference

1 reference

RxNorm ID

1862578

1 reference

14 February 2018

2 references

UNII

41AX9SJ8KO

14 February 2018