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Substance Name: Taspoglutide [USAN:INN]
RN: 275371-94-3
UNII: 2PHK27IP3B
InChIKey: WRGVLTAWMNZWGT-VQSPYGJZSA-N

Classification Code

  • Treatment of Type 2 Diabetes

Molecular Formula

  • C152-H232-N40-O45

Molecular Weight

  • 3339.7398
 
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Names and Synonyms

Name of Substance

  • Taspoglutide [USAN:INN]

Synonyms

  • BIM 51077
  • ITM 077
  • R 1583
  • RO 5073031
  • RO5073031
  • Taspoglutide
  • UNII-2PHK27IP3B

Systematic Names

  • 7-36-Glucagon-like peptide I (human), 8-(2-methylalanine)-35-(2-methylalanine)-36-L-argininamide-
  • H2N-His-2-methyl-Ala-Glu-Gly-Thr-Phe-Thr-Ser-Asp-Val-Ser-Ser-Tyr-Leu-Glu-Gly-Gln-Ala-Ala-Lys-Glu-Phe-Ile-Ala-Trp-Leu-Val-Lys-2-methyl-Ala-Arg-CONH2

Registry Numbers

CAS Registry Number

  • 275371-94-3

FDA UNII

  • 2PHK27IP3B

Other Registry Number

  • 870151-88-5

System Generated Number

  • 0275371943

Structure Descriptors

InChI

1S/C152H232N40O45/c1-20-78(10)119(145(233)168-81(13)125(213)174-105(63-87-66-162-92-39-28-27-38-90(87)92)134(222)176-101(59-75(4)5)135(223)187-117(76(6)7)143(231)173-95(41-30-32-56-154)142(230)192-152(18,19)148(236)184-93(122(157)210)42-33-57-161-150(158)159)189-136(224)103(60-84-34-23-21-24-35-84)177-131(219)99(50-54-115(206)207)172-130(218)94(40-29-31-55-153)170-124(212)80(12)166-123(211)79(11)167-129(217)98(47-51-110(156)199)169-111(200)68-163-127(215)96(48-52-113(202)203)171-132(220)100(58-74(2)3)175-133(221)102(62-86-43-45-89(198)46-44-86)178-139(227)107(70-193)181-141(229)109(72-195)182-144(232)118(77(8)9)188-138(226)106(65-116(208)209)179-140(228)108(71-194)183-147(235)121(83(15)197)190-137(225)104(61-85-36-25-22-26-37-85)180-146(234)120(82(14)196)186-112(201)69-164-128(216)97(49-53-114(204)205)185-149(237)151(16,17)191-126(214)91(155)64-88-67-160-73-165-88/h21-28,34-39,43-46,66-67,73-83,91,93-109,117-121,162,193-198H,20,29-33,40-42,47-65,68-72,153-155H2,1-19H3,(H2,156,199)(H2,157,210)(H,160,165)(H,163,215)(H,164,216)(H,166,211)(H,167,217)(H,168,233)(H,169,200)(H,170,212)(H,171,220)(H,172,218)(H,173,231)(H,174,213)(H,175,221)(H,176,222)(H,177,219)(H,178,227)(H,179,228)(H,180,234)(H,181,229)(H,182,232)(H,183,235)(H,184,236)(H,185,237)(H,186,201)(H,187,223)(H,188,226)(H,189,224)(H,190,225)(H,191,214)(H,192,230)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H4,158,159,161)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-,119-,120-,121-/m0/s1

InChIKey

WRGVLTAWMNZWGT-VQSPYGJZSA-N

Smiles

N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C(=O)N[C@H](C(=O)N)CCCNC(=N)N)C)CCCCN)[C@@H](C)C)CC(C)C)Cc1c[nH]c2c1cccc2)[C@@H](C)CC)Cc1ccccc1)CCC(=O)O)CCCCN)C(=O)[C@@H](NC(=O)[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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](N)Cc1[nH]cnc1)(C)C)CCC(=O)O)[C@@H](O)C)Cc1ccccc1)[C@@H](O)C)CO)CC(=O)O)[C@@H](C)C)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C