Marvin 07011015242D 49 50 0 0 0 0 999 V2000 17.2177 -5.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4958 -4.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9653 -4.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2177 -5.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8052 -3.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6302 -3.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2435 -7.4924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1458 -3.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2895 -3.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9395 -6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5216 -6.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5216 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9395 -7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5583 -5.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8513 -5.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2435 -8.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4903 -3.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9450 -3.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0778 -4.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3317 -4.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5638 -4.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8974 -4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6813 -4.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9593 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4289 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6813 -5.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2688 -3.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0938 -3.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7070 -7.4427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6093 -3.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7531 -3.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4031 -6.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9852 -6.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9852 -7.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4031 -7.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0218 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3149 -5.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7070 -8.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 -3.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4086 -3.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5414 -4.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0274 -4.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3609 -4.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4723 -5.9340 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.4822 -6.9479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9575 -9.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6313 -9.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5039 -9.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 9 2 2 0 0 0 0 15 2 1 0 0 0 0 8 3 1 0 0 0 0 14 3 2 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 9 5 1 0 0 0 0 6 5 2 0 0 0 0 8 6 1 0 0 0 0 12 7 1 0 0 0 0 16 7 1 0 0 0 0 13 7 1 0 0 0 0 18 8 2 0 0 0 0 17 9 1 0 0 0 0 13 10 1 0 0 0 0 12 11 1 0 0 0 0 20 14 1 0 0 0 0 19 15 2 0 0 0 0 22 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 21 20 2 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 23 2 0 0 0 0 31 24 2 0 0 0 0 37 24 1 0 0 0 0 30 25 1 0 0 0 0 36 25 2 0 0 0 0 32 26 1 0 0 0 0 33 26 1 0 0 0 0 31 27 1 0 0 0 0 28 27 2 0 0 0 0 30 28 1 0 0 0 0 34 29 1 0 0 0 0 38 29 1 0 0 0 0 35 29 1 0 0 0 0 40 30 2 0 0 0 0 39 31 1 0 0 0 0 35 32 1 0 0 0 0 34 33 1 0 0 0 0 42 36 1 0 0 0 0 41 37 2 0 0 0 0 44 39 2 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 43 42 2 0 0 0 0 M END > CHEBI:650917 > cyproheptadine hydrochloride sesquihydrate > The sesquihydrate of cyproheptadine hydrochloride. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate. A sedating antihistamine with antimuscarinic and calcium-channel blocking actions, it is used for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia. > 3 > CHEBI:188266 > Cyproheptadine hydrochloride; CYPROHEPTADINE HYDROCHLORIDE; 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride sesquihydrate > 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride--water (2/3) > C42H50Cl2N2O3 > 701.76400 > 700.31985 > 0 > O.O.O.Cl.Cl.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12.CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12 > InChI=1S/2C21H21N.2ClH.3H2O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;2*1H;3*1H2 > ZEAUHIZSRUAMQG-UHFFFAOYSA-N > 41354-29-4 > 41354-29-4 > DB00434 > D02234 > 3172125 $$$$