Antide | CAS No. 112568-12-4

Antide

Basic Information

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CAS Number

112568-12-4

Molecular Formula

C82H108ClN17O14

Molecular Weight

1591.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCCNC(=O)C2=CN=CC=C2)NC(=O)C(CCCCNC(=O)C3=CN=CC=C3)NC(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C

InChI

InChI=1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62+,63-,64+,65+,66-,67-,68-,69+,70+/m1/s1

InChIKey

QRYFGTULTGLGHU-NBERXCRTSA-N

LogP

2.992699999999984

Topological Polar Surface Area

454.4299999999998 Å²

Hydrogen Bond Donor/Acceptor

15 / 31

Complexity

3110

Safety Information

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GHS Hazard Pictograms

H360

Hazard Statement

H360 May damage fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

Nal-lys anatagonist
Nal-Lys-GnRH
(N-Acetyl-3-(naphhalen-2-yl)-D-alanyl)-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N(sup 6)-nicotinyl-L-lysyl-N(sup 6)-nicotinyl-D-lysyl-L-leucyl-N(sup 6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide
D-Alaninamide, N-acetyl-3-(naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N(sup 6)-3-pyridinylcarbonyl)-L-lysyl-N(sup 6)-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N(sup 6)-(1-methylethyl)-L-lysyl-L-prolyl-
AC-8912
HY-P0013
Q27888363
EX-A8103
NS00124778
ITURELIX [WHO-DD]
N-Ac-Nal(1)-4-Cl-Phe(2)-Pal(3)-Ser(4)-Nic-Lys(5)-Nic-Lys(6)-Leu(7)-I-Lys(8)-Pro(9)-Ala(10)-NH2
94055UOQ3Y
AKOS015896023
D 21074
SCHEMBL1649367
ORF-32541
Nal-Lys-GnRHant
Orf-23541
112568-12-4
UNII-94055UOQ3Y
N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N6-nicotinoyl-L-lysyl-N6-nicotinoyl-D-lysyl-L-leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide
MFCD00133104
Orf 23541
GTPL3854
D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N(sup 6)-(3-pyridinylcarbonyl)-L-lysyl-N(sup 6)-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N(sup 6)-(1-methylethyl)-L-lysyl-L-prolyl-
Iturelix [USAN:INN]
ITURELIX [INN]
Antide
Iturelix
BRN 4866881
D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N6-(3-pyridinylcarbonyl)-L-lysyl-N6-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-