Product Name

  • Name

    Substance P

  • EINECS 251-545-8
  • CAS No. 33507-63-0
  • Article Data6
  • CAS DataBase
  • Density 1.42 g/cm3
  • Solubility Soluble in water, DMSO, and Acetic Acid.
  • Melting Point 148 °C
  • Formula C63H98N18O13S
  • Boiling Point
  • Molecular Weight 1347.65
  • Flash Point
  • Transport Information
  • Appearance white powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 33507-63-0 (Substance P)
  • Hazard Symbols
  • Synonyms 1: PN:US20020037833 SEQID: 1 unclaimed sequence;21: PN: WO0181408 SEQID: 44 claimedprotein;2: PN: JP2005049164 SEQID: 2 claimed protein;36: PN: WO2007058336SEQID: 36 claimed protein;44: PN: WO2005016244 PAGE: 68 claimed protein;690:PN: WO2004005342 PAGE: 46 claimed protein;L-Methioninamide,L-arginyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-;Neurokinin P;Substance P (1-11);Substance P (peptide);Substance P(smooth-muscle stimulant);N5-(diaminomethylidene)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide;
  • PSA 544.43000
  • LogP 4.19410

Substance P Specification

The Substance P, with the CAS registry number 33507-63-0, is also known as Substance P (peptide). It belongs to the product categories of TPI; Peptide; Tachykinin receptor; Peptide Receptors. Its EINECS number is 251-545-8. This chemical's molecular formula is C63H98N18O13S and molecular weight is 1347.63. What's more, its systematic name is N5-(diaminomethylidene)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide. Its classification code is Neurotransmitter Agents. The product should be sealed and stored in containers with dry inert argon which are placed in dry places below 0 °C .

Physical properties of Substance P are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -5.93; (4)ACD/LogD (pH 7.4): -5.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 31; (10)#H bond donors: 22; (11)#Freely Rotating Bonds: 44; (12)Polar Surface Area: 314.65 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 349.85 cm3; (15)Molar Volume: 944.4 cm3; (16)Polarizability: 138.69×10-24 cm3; (17)Surface Tension: 63.3 dyne/cm; (18)Density: 1.42 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(N)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](N)CCC/N=C(\N)N)CCC1)CCCCN)CCC2)CCC(=O)N)CCC(=O)N)Cc3ccccc3)Cc4c cccc4)CC(C)C)CCSC
(2)InChI: InChI=1/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
(3)InChIKey: ADNPLDHMAVUMIW-CUZNLEPHBU

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