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Tirilazad (Standard)

CAT: 0804-HY-132280RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-132280RSize:1 Each
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Description
Estradiol enanthate (Standard) is the analytical standard of Estradiol enanthate. This product is intended for research and analytical applications. Estradiol enanthate is a shorter-acting estrogen. The combination of Estradiol enanthate and dihydroxyprogesterone acetophenide can be used as a monthly injectable contraceptive[1][2].
CAS Number
110101-66-1
Product Name Alternative
U 74006F (free base) (Standard)
UNSPSC
12352005
Target
Antibiotic; Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection; Neurological Disease
Smiles
C[C@@]12[C@](C[C@H]([C@@H]2C(CN3CCN(C4=NC(N5CCCC5)=NC(N6CCCC6)=C4)CC3)=O)C)([H])[C@@]7([H])C([C@@]8(C(CC7)=CC(C=C8)=O)C)=CC1
Molecular Formula
C38H52N6O2
Molecular Weight
624.86
References & Citations
[1]Bath PM, et al. Tirilazad for acute ischaemic stroke. Cochrane Database Syst Rev. 2001; (4) :CD002087.|[2]Zhang S, et al. Tirilazad for aneurysmal subarachnoid haemorrhage. Cochrane Database Syst Rev. 2010 Feb 17; (2) :CD006778.|[3]Tirilazad mesylate in acute ischemic stroke: A systematic review. Tirilazad International Steering Committee. Stroke. 2000 Sep;31 (9) :2257-65.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Tirilazad

Tirilazad is a corticosteroid hormone.

CAS Number110101-66-1
PubChem CID104903
IUPAC Name(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC38H52N6O2
Molecular Weight624.9
XLogP5.9
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count46
Formal Charge0
Complexity1290
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C
InChI
InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26-,29-,31+,35-,37+,38+/m1/s1
InChIKey
RBKASMJPSJDQKY-RBFSKHHSSA-N
Chemical Structure
2D Structure
2D structure of Tirilazad
CAS: 110101-66-1
CID: 104903
Formula: C38H52N6O2
MW: 624.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.9
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass624.41517492
Monoisotopic Mass624.41517492
Topological Polar Surface Area72.9 Ų
Heavy Atom Count46
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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