Theophylline Hydrochloride Monohydrate

CAT No.

ALN-T045026

CAS No.

1604876-32-5

Mol. F.

C7H8N4O2 : HCl : H2O

Mol. Wt.

180.2 : 36.5 : 18.0

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : 1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione hydrochloride monohydrate

Smiles : O=C(N1C)C(N=CN2)=C2N(C)C1=O.Cl.O

Inchi : InChI=1S/C56H79N15O10/c1-6-60-54(80)46-14-10-22-71(46)55(81)40(13-9-21-61-56(57)58)65-49(75)41(23-31(2)3)66-50(76)42(24-32(4)5)67-51(77)43(25-33-15-17-36(72)18-16-33)68-52(78)44(26-34-28-62-38-12-8-7-11-37(34)38)69-53(79)45(27-35-29-59-30-63-35)70-48(74)39-19-20-47(73)64-39/h7-8,11-12,15-18,28-32,39-46,62,72H,6,9-10,13-14,19-27H2,1-5H3,(H,59,63)(H,60,80)(H,64,73)(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,74)(H4,57,58,61)/t39-,40-,41-,42+,43-,44-,45-,46-/m0/s1

Technical Data