Drug Information

General Information
Drug ID
DR00686
Drug Name
Dihydroergotamine
Synonyms
(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman; (5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione; (5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman; 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman; 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione; 9,10-Dihydroergotamine; 9,10-dihydro-ergotamine; Agit; Angionorm; Co-Dergocrine; DET MS; DHE-45; DIHYDROERGOTOXINE; Dehydroergotamine; Dergotamine; Diergo; Dihidroergotamina; Dihidroergotamina [INN-Spanish]; Dihydergot; Dihydroergotamine (INN); Dihydroergotamine methanesulfonate; Dihydroergotaminum; Dihydroergotaminum [INN-Latin]; Dihydroergotoxin; Diidroergotamina; Diidroergotamina [DCIT]; Dirgotarl; Endophleban; Ergoloid dihydroergotoxine; ErgoloidMesylates (dihydroergotoxine); Ergomimet; Ergont; Ergot Alkaloids, Hydrogenated; Ergotonin; Ikaran; Migranal; Migranal (TN); Morena; Neomigran; Neomigran (TN); Orstanorm; Seglor; Tonopres; Verladyn
Drug Type
Small molecular drug
Therapeutic Class
Antimigraine Agents
Structure
3D MOL 2D MOL
Formula
C33H37N5O5
Canonical SMILES
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C
InChI
InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1
InChIKey
LUZRJRNZXALNLM-JGRZULCMSA-N
CAS Number
CAS 6190-39-2
Pharmaceutical Properties Molecular Weight 583.7 Topological Polar Surface Area 118
Heavy Atom Count 43 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
XLogP
2.4
PubChem CID
10531
PubChem SID
10000 ,103684622 ,103905875 ,104137088 ,104171355 ,104323551 ,11335767 ,11361006 ,11363951 ,11366513 ,11369075 ,11371529 ,11374714 ,11377237 ,11461978 ,11484971 ,11489004 ,11490211 ,11492773 ,11494871 ,119501400 ,124749650 ,124883197 ,124883198 ,126688923 ,127323995 ,127323996 ,127323997 ,127323998 ,127323999 ,127324000 ,14788984 ,14935810 ,29229015 ,46507711 ,47291112 ,47885391 ,48110437 ,48334472 ,49963030 ,49965612 ,50153282 ,57326281 ,7979087 ,8157604 ,85789540 ,90341683 ,93166278 ,96024534 ,99313633
TTD Drug ID
D0V3ZA

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