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847591-62-2
ICG-001
Directory
1. Identification
2. Chemical and Physical Properties
3. Material Safety Data Sheet(MSDS)
4. CML File
5. TOP Suppliers
6. Related products
Name
ICG-001
Formula
C33 H32 N4 O4
MolWeight
548.64
CCD No.
CCD01564180
CAS
847591-62-2
MDL
MFCD12196918
1
Identification
【Name】
ICG-001
【CAS】
780757-88-2
;
847591-62-2
【MDL】
MFCD12196918
【English Synonyms】
(6S,9AS)-N-BENZYL-6-(4-HYDROXYBENZYL)-8-(NAPHTHALEN-1-YLMETHYL)-4,7-DIOXOOCTAHYDRO-1H-PYRAZINO[1,2-A]PYRIMIDINE-1-CARBOXAMIDE
2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-, (6S,9AS)-REL-
2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-, (6S,9AS)-
(6S,9AS)-6-(4-HYDROXYBENZYL)-8-NAPHTHALEN-1-YLMETHYL-4,7-DIOXO-HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-1-CARBOXYLIC ACID BENZYLAMIDE
(6S,9AS)-HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE
ICG-001
(6S,9AS)-REL-N-BENZYL-6-(4-HYDROXYBENZYL)-8-(NAPHTHALEN-1-YLMETHYL)-4,7-DIOXOOCTAHYDRO-1H-PYRIMIDO[1,2-A]PYRAZINE-1-CARBOXAMIDE
(6S,9AS)-N-BENZYL-6-[(4-HYDROXYPHENYL)METHYL]-8-(NAPHTHALEN-1-YLMETHYL)-4,7-DIOXO-TETRAHYDRO-2H-PYRIMIDO[1,2-A]PIPERAZINE-1-CARBOXAMIDE
(6S,9AS)-N-BENZYL-6-(4-HYDROXYBENZYL)-8-(NAPHTHALEN-1-YLMETHYL)-4,7-DIOXOHEXAHYDRO-2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE
【Formula】
C33 H32 N4 O4
【MolWeight】
548.64
【Inchi】
InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1
【InChIKey】
InChIKey=HQWTUOLCGKIECB-XZWHSSHBSA-N
【SMILES】
c1ccc(cc1)CNC(=O)N2CCC(=O)N3[C@@H]2CN(C(=O)[C@@H]3Cc4ccc(cc4)O)Cc5cccc6c5cccc6
【MOL File】
ICG-001.mol
2
Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:FB
3
Material Safety Data Sheet(MSDS)
4
CML File
ICG-001.cml
Quick Release
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