User:CFCF/sandbox2

Icatibant is a stub-class article

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CFCF/sandbox2

Clinical data
Trade names	Firazyr
AHFS/Drugs.com	International Drug Names
License data	EU EMA: by INN US FDA: Icatibant
Routes of administration	subcutaneous
ATC code	B06AC02 (WHO)
Legal status
Legal status	US: ℞-only
Identifiers
IUPAC name (2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)- 2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino) pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine- 2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]- 3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl] 3,4-dihydro-1H-isoquinoline-3-carbonyl] 2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]- 5-(diaminomethylideneamino)pentanoic acid
CAS Number	130308-48-4 N
PubChem CID	71364
IUPHAR/BPS	667
DrugBank	DB06196 Y
ChemSpider	16736634 Y
UNII	7PG89G35Q7
ChEBI	CHEBI:68556 N
ChEMBL	ChEMBL1743581 N
Chemical and physical data
Formula	C59H89N19O13S
Molar mass	1304.52 g/mol g·mol−1
3D model (JSmol)	Interactive image
SMILES C1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)C6C[C@H](CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45?,46+/m0/s1 Y Key:QURWXBZNHXJZBE-OVZQYVDUSA-N Y
NY (what is this?)  (verify)

CFCF/sandbox2

Clinical data
Trade names	Firazyr
AHFS/Drugs.com	International Drug Names
License data	EU EMA: by INN US FDA: Icatibant
Routes of administration	subcutaneous
ATC code	B06AC02 (WHO)
Legal status
Legal status	US: ℞-only
Identifiers
IUPAC name (2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)- 2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino) pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine- 2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]- 3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl] 3,4-dihydro-1H-isoquinoline-3-carbonyl] 2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]- 5-(diaminomethylideneamino)pentanoic acid
CAS Number	130308-48-4 N
PubChem CID	71364
IUPHAR/BPS	667
DrugBank	DB06196 Y
ChemSpider	16736634 Y
UNII	7PG89G35Q7
ChEBI	CHEBI:68556 N
ChEMBL	ChEMBL1743581 N
Chemical and physical data
Formula	C59H89N19O13S
Molar mass	1304.52 g/mol g·mol−1
3D model (JSmol)	Interactive image
SMILES C1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)C6C[C@H](CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45?,46+/m0/s1 Y Key:QURWXBZNHXJZBE-OVZQYVDUSA-N Y
NY (what is this?)  (verify)

CFCF/sandbox2

Clinical data
Trade names	Firazyr
AHFS/Drugs.com	International Drug Names
License data	EU EMA: by INN US FDA: Icatibant
Routes of administration	subcutaneous
ATC code	B06AC02 (WHO)
Legal status
Legal status	US: ℞-only
Identifiers
IUPAC name (2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)- 2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino) pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine- 2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]- 3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl] 3,4-dihydro-1H-isoquinoline-3-carbonyl] 2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]- 5-(diaminomethylideneamino)pentanoic acid
CAS Number	130308-48-4 N
PubChem CID	71364
IUPHAR/BPS	667
DrugBank	DB06196 Y
ChemSpider	16736634 Y
UNII	7PG89G35Q7
ChEBI	CHEBI:68556 N
ChEMBL	ChEMBL1743581 N
Chemical and physical data
Formula	C59H89N19O13S
Molar mass	1304.52 g/mol g·mol−1
3D model (JSmol)	Interactive image
SMILES C1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)C6C[C@H](CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45?,46+/m0/s1 Y Key:QURWXBZNHXJZBE-OVZQYVDUSA-N Y
NY (what is this?)  (verify)

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